tert-butyl N-[(2S)-1-[[2-[6-[3-(cyclopropylmethoxy)phenoxy]-4-methyl-3-pyridinyl]-1,3-oxazol-5-yl]oxy]propan-2-yl]carbamate

C27H33N3O6 — CID 140853256

IUPACtert-butyl N-[(2S)-1-[[2-[6-[3-(cyclopropylmethoxy)phenoxy]-4-methyl-3-pyridinyl]-1,3-oxazol-5-yl]oxy]propan-2-yl]carbamate
SMILESCc1cc(Oc2cccc(OCC3CC3)c2)ncc1-c1ncc(OC[C@H](C)NC(=O)OC(C)(C)C)o1
InChIInChI=1S/C27H33N3O6/c1-17-11-23(34-21-8-6-7-20(12-21)32-16-19-9-10-19)28-13-22(17)25-29-14-24(35-25)33-15-18(2)30-26(31)36-27(3,4)5/h6-8,11-14,18-19H,9-10,15-16H2,1-5H3,(H,30,31)/t18-/m0/s1
InChIKeyUDNMRMZLLXIUMR-SFHVURJKSA-N
MW495.58 g/mol
LogP5.92
Rot. Bonds10

About tert-butyl N-[(2S)-1-[[2-[6-[3-(cyclopropylmethoxy)phenoxy]-4-methyl-3-pyridinyl]-1,3-oxazol-5-yl]oxy]propan-2-yl]carbamate

tert-butyl N-[(2S)-1-[[2-[6-[3-(cyclopropylmethoxy)phenoxy]-4-methyl-3-pyridinyl]-1,3-oxazol-5-yl]oxy]propan-2-yl]carbamate (PubChem CID 140853256) has the molecular formula C27H33N3O6 and a molecular weight of 495.58 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-[[2-[6-[3-(cyclopropylmethoxy)phenoxy]-4-methyl-3-pyridinyl]-1,3-oxazol-5-yl]oxy]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-[[2-[6-[3-(cyclopropylmethoxy)phenoxy]-4-methyl-3-pyridinyl]-1,3-oxazol-5-yl]oxy]propan-2-yl]carbamate
PubChem CID140853256
Molecular FormulaC27H33N3O6
Molecular Weight495.58 g/mol
Exact Mass495.24
IUPAC Nametert-butyl N-[(2S)-1-[[2-[6-[3-(cyclopropylmethoxy)phenoxy]-4-methyl-3-pyridinyl]-1,3-oxazol-5-yl]oxy]propan-2-yl]carbamate
SMILESCc1cc(Oc2cccc(OCC3CC3)c2)ncc1-c1ncc(OC[C@H](C)NC(=O)OC(C)(C)C)o1
InChIInChI=1S/C27H33N3O6/c1-17-11-23(34-21-8-6-7-20(12-21)32-16-19-9-10-19)28-13-22(17)25-29-14-24(35-25)33-15-18(2)30-26(31)36-27(3,4)5/h6-8,11-14,18-19H,9-10,15-16H2,1-5H3,(H,30,31)/t18-/m0/s1
InChIKeyUDNMRMZLLXIUMR-SFHVURJKSA-N
XLogP5.92
TPSA104.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.58
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze tert-butyl N-[(2S)-1-[[2-[6-[3-(cyclopropylmethoxy)phenoxy]-4-methyl-3-pyridinyl]-1,3-oxazol-5-yl]oxy]propan-2-yl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

1-[[2-[6-[3-(cyclopropylmethoxy)phenoxy]-4-methyl-3-pyridinyl]-1,3-oxazol-5-yl]oxy]propan-2-ylcarbamic acid
CID 134226822
tert-butyl N-[(2S)-1-[[2-(6-chloro-4-methyl-3-pyridinyl)-1,3-oxazol-5-yl]oxy]propan-2-yl]carbamate
CID 140853259
1-[[2-(6-chloro-4-methyl-3-pyridinyl)-1,3-oxazol-5-yl]oxy]propan-2-ylcarbamic acid
CID 134226850
N-[(2S)-1-[[2-[4-[3-(cyclopropylmethoxy)phenoxy]phenyl]-4-methyl-1,3-oxazol-5-yl]oxy]propan-2-yl]acetamide
CID 134226841
3-[3-(cyclopropylmethoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 170881542
tert-butyl N-[(2R)-1-phenoxypropan-2-yl]carbamate
CID 10586857
1-[2-[6-[3-(cyclopropylmethoxy)phenoxy]-3-pyridinyl]-7-fluoro-1,3-benzoxazol-6-yl]ethylurea
CID 130472639
N-[1-[[2-[2-[3-(cyclopropylmethoxy)phenoxy]pyrimidin-5-yl]-1,3-thiazol-5-yl]oxy]propan-2-yl]acetamide
CID 134227042
[(2S)-1-[[2-[4-(cyclopropylmethoxy)phenyl]-[1,3]oxazolo[4,5-c]pyridin-6-yl]oxy]propan-2-yl]carbamic acid
CID 90355040
N-[(2S)-1-[[2-[5-(cyclopropylmethoxy)-3-methyl-2-pyridinyl]-[1,3]oxazolo[4,5-c]pyridin-6-yl]oxy]propan-2-yl]acetamide
CID 90354240
4-[1-[6-[3-(cyclopropylmethoxy)phenoxy]-3-pyridinyl]pyrazol-4-yl]-4-hydroxybutan-2-one
CID 134226972
tert-butyl N-[3-[3-(cyclohexylmethoxy)phenyl]-2-hydroxypropyl]carbamate
CID 58027630

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-[[2-[6-[3-(cyclopropylmethoxy)phenoxy]-4-methyl-3-pyridinyl]-1,3-oxazol-5-yl]oxy]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-[[2-[6-[3-(cyclopropylmethoxy)phenoxy]-4-methyl-3-pyridinyl]-1,3-oxazol-5-yl]oxy]propan-2-yl]carbamate (CID 140853256) is tert-butyl N-[(2S)-1-[[2-[6-[3-(cyclopropylmethoxy)phenoxy]-4-methyl-3-pyridinyl]-1,3-oxazol-5-yl]oxy]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-[[2-[6-[3-(cyclopropylmethoxy)phenoxy]-4-methyl-3-pyridinyl]-1,3-oxazol-5-yl]oxy]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-[[2-[6-[3-(cyclopropylmethoxy)phenoxy]-4-methyl-3-pyridinyl]-1,3-oxazol-5-yl]oxy]propan-2-yl]carbamate is Cc1cc(Oc2cccc(OCC3CC3)c2)ncc1-c1ncc(OC[C@H](C)NC(=O)OC(C)(C)C)o1.
What is the InChIKey of tert-butyl N-[(2S)-1-[[2-[6-[3-(cyclopropylmethoxy)phenoxy]-4-methyl-3-pyridinyl]-1,3-oxazol-5-yl]oxy]propan-2-yl]carbamate?
The InChIKey is UDNMRMZLLXIUMR-SFHVURJKSA-N. The full InChI is InChI=1S/C27H33N3O6/c1-17-11-23(34-21-8-6-7-20(12-21)32-16-19-9-10-19)28-13-22(17)25-29-14-24(35-25)33-15-18(2)30-26(31)36-27(3,4)5/h6-8,11-14,18-19H,9-10,15-16H2,1-5H3,(H,30,31)/t18-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-[[2-[6-[3-(cyclopropylmethoxy)phenoxy]-4-methyl-3-pyridinyl]-1,3-oxazol-5-yl]oxy]propan-2-yl]carbamate?
tert-butyl N-[(2S)-1-[[2-[6-[3-(cyclopropylmethoxy)phenoxy]-4-methyl-3-pyridinyl]-1,3-oxazol-5-yl]oxy]propan-2-yl]carbamate has a molecular weight of 495.58 g/mol, XLogP of 5.92, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-[[2-[6-[3-(cyclopropylmethoxy)phenoxy]-4-methyl-3-pyridinyl]-1,3-oxazol-5-yl]oxy]propan-2-yl]carbamate is sourced from PubChem (CID 140853256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).