methyl 3-[3-[2-(phenylmethoxycarbonylamino)propan-2-yl]-1,2-oxazol-5-yl]propanoate

C18H22N2O5 — CID 18682364

IUPACmethyl 3-[3-[2-(phenylmethoxycarbonylamino)propan-2-yl]-1,2-oxazol-5-yl]propanoate
SMILESCOC(=O)CCc1cc(C(C)(C)NC(=O)OCc2ccccc2)no1
InChIInChI=1S/C18H22N2O5/c1-18(2,15-11-14(25-20-15)9-10-16(21)23-3)19-17(22)24-12-13-7-5-4-6-8-13/h4-8,11H,9-10,12H2,1-3H3,(H,19,22)
InChIKeyHGCHTMLGIHYPJE-UHFFFAOYSA-N
MW346.38 g/mol
LogP2.94
Rot. Bonds7

About methyl 3-[3-[2-(phenylmethoxycarbonylamino)propan-2-yl]-1,2-oxazol-5-yl]propanoate

methyl 3-[3-[2-(phenylmethoxycarbonylamino)propan-2-yl]-1,2-oxazol-5-yl]propanoate (PubChem CID 18682364) has the molecular formula C18H22N2O5 and a molecular weight of 346.38 g/mol. Its IUPAC name is methyl 3-[3-[2-(phenylmethoxycarbonylamino)propan-2-yl]-1,2-oxazol-5-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[3-[2-(phenylmethoxycarbonylamino)propan-2-yl]-1,2-oxazol-5-yl]propanoate
PubChem CID18682364
Molecular FormulaC18H22N2O5
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Namemethyl 3-[3-[2-(phenylmethoxycarbonylamino)propan-2-yl]-1,2-oxazol-5-yl]propanoate
SMILESCOC(=O)CCc1cc(C(C)(C)NC(=O)OCc2ccccc2)no1
InChIInChI=1S/C18H22N2O5/c1-18(2,15-11-14(25-20-15)9-10-16(21)23-3)19-17(22)24-12-13-7-5-4-6-8-13/h4-8,11H,9-10,12H2,1-3H3,(H,19,22)
InChIKeyHGCHTMLGIHYPJE-UHFFFAOYSA-N
XLogP2.94
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl (3R)-3-methyl-4-oxo-3-(phenylmethoxycarbonylamino)pentanoate
CID 118284148
benzyl N-[(2R)-2-dimethoxyphosphoryl-3,3-dimethylbutan-2-yl]carbamate
CID 101460306
benzyl N-[2-(3-bromophenyl)propan-2-yl]carbamate
CID 58641875
1-O-tert-butyl 5-O-methyl (2R)-2-(phenylmethoxycarbonylamino)pentanedioate
CID 10594076
benzyl 3-(3-methoxy-3-oxopropyl)benzoate
CID 155731050
methyl (2R)-2-methyl-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 140762631
methyl 2-hydroxy-3-oxo-2-(phenylmethoxycarbonylamino)butanoate
CID 101462496
benzyl N-[(2R,4R)-2,4-dihydroxy-3-methylpentan-3-yl]carbamate
CID 139247228
lithium benzyl N-(2-methylbut-3-yn-2-yl)carbamate
CID 87939839
(2S,3S)-2-tert-butyl-3-(phenylmethoxycarbonylamino)butanedioic acid
CID 70070486
(2S)-2-tert-butyl-3-(phenylmethoxycarbonylamino)butanedioic acid
CID 87673023
methyl (2S)-3,3,3-trifluoro-2-methyl-2-(phenylmethoxycarbonylamino)propanoate
CID 102354501

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-[2-(phenylmethoxycarbonylamino)propan-2-yl]-1,2-oxazol-5-yl]propanoate?
The IUPAC name of methyl 3-[3-[2-(phenylmethoxycarbonylamino)propan-2-yl]-1,2-oxazol-5-yl]propanoate (CID 18682364) is methyl 3-[3-[2-(phenylmethoxycarbonylamino)propan-2-yl]-1,2-oxazol-5-yl]propanoate.
What is the SMILES notation for methyl 3-[3-[2-(phenylmethoxycarbonylamino)propan-2-yl]-1,2-oxazol-5-yl]propanoate?
The canonical SMILES for methyl 3-[3-[2-(phenylmethoxycarbonylamino)propan-2-yl]-1,2-oxazol-5-yl]propanoate is COC(=O)CCc1cc(C(C)(C)NC(=O)OCc2ccccc2)no1.
What is the InChIKey of methyl 3-[3-[2-(phenylmethoxycarbonylamino)propan-2-yl]-1,2-oxazol-5-yl]propanoate?
The InChIKey is HGCHTMLGIHYPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5/c1-18(2,15-11-14(25-20-15)9-10-16(21)23-3)19-17(22)24-12-13-7-5-4-6-8-13/h4-8,11H,9-10,12H2,1-3H3,(H,19,22).
What are the key properties of methyl 3-[3-[2-(phenylmethoxycarbonylamino)propan-2-yl]-1,2-oxazol-5-yl]propanoate?
methyl 3-[3-[2-(phenylmethoxycarbonylamino)propan-2-yl]-1,2-oxazol-5-yl]propanoate has a molecular weight of 346.38 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-[2-(phenylmethoxycarbonylamino)propan-2-yl]-1,2-oxazol-5-yl]propanoate is sourced from PubChem (CID 18682364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).