benzyl N-[(2S)-1-hydroxy-1-(4-methyl-1,3-benzoxazol-2-yl)propan-2-yl]carbamate

C19H20N2O4 — CID 10831008

IUPACbenzyl N-[(2S)-1-hydroxy-1-(4-methyl-1,3-benzoxazol-2-yl)propan-2-yl]carbamate
SMILESCc1cccc2oc(C(O)[C@H](C)NC(=O)OCc3ccccc3)nc12
InChIInChI=1S/C19H20N2O4/c1-12-7-6-10-15-16(12)21-18(25-15)17(22)13(2)20-19(23)24-11-14-8-4-3-5-9-14/h3-10,13,17,22H,11H2,1-2H3,(H,20,23)/t13-,17?/m0/s1
InChIKeyDTZBEUNQDWRLGN-CWQZNGJJSA-N
MW340.38 g/mol
LogP3.48
Rot. Bonds5

About benzyl N-[(2S)-1-hydroxy-1-(4-methyl-1,3-benzoxazol-2-yl)propan-2-yl]carbamate

benzyl N-[(2S)-1-hydroxy-1-(4-methyl-1,3-benzoxazol-2-yl)propan-2-yl]carbamate (PubChem CID 10831008) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is benzyl N-[(2S)-1-hydroxy-1-(4-methyl-1,3-benzoxazol-2-yl)propan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S)-1-hydroxy-1-(4-methyl-1,3-benzoxazol-2-yl)propan-2-yl]carbamate
PubChem CID10831008
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Namebenzyl N-[(2S)-1-hydroxy-1-(4-methyl-1,3-benzoxazol-2-yl)propan-2-yl]carbamate
SMILESCc1cccc2oc(C(O)[C@H](C)NC(=O)OCc3ccccc3)nc12
InChIInChI=1S/C19H20N2O4/c1-12-7-6-10-15-16(12)21-18(25-15)17(22)13(2)20-19(23)24-11-14-8-4-3-5-9-14/h3-10,13,17,22H,11H2,1-2H3,(H,20,23)/t13-,17?/m0/s1
InChIKeyDTZBEUNQDWRLGN-CWQZNGJJSA-N
XLogP3.48
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-[(1R,2S)-1-hydroxy-1-pyridin-4-ylpropan-2-yl]carbamate
CID 86630532
benzyl N-(3-methylbutan-2-yl)carbamate;ethane
CID 145481818
benzyl N-[1-(4-chlorophenyl)-1-hydroxypropan-2-yl]carbamate
CID 67105648
methyl (2R,3S)-2-hydroxy-3-(phenylmethoxycarbonylamino)butanoate
CID 56634953
benzyl N-(3-hydroxy-5-methylhexan-2-yl)carbamate
CID 20577893
benzyl N-[(2S)-1-(1,3-benzoxazol-2-yl)-1-hydroxy-3-(4-isocyanophenyl)propan-2-yl]carbamate
CID 59013250
triphenyl-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]phosphanium
CID 57338291
benzyl N-[(1S,2S)-1-hydroxy-1-(2-methyltetrazol-5-yl)propan-2-yl]carbamate
CID 59135198
benzyl N-(3-oxobutan-2-yl)carbamate
CID 18726564
benzyl N-[(2S)-3-oxobutan-2-yl]carbamate
CID 59895800
5-methyl-2-[(1R)-2-methyl-1-(phenylmethoxycarbonylamino)propyl]-1,3-oxazole-4-carboxylic acid
CID 91758156
2-(phenylmethoxycarbonylamino)propanoate
CID 4115530

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-1-hydroxy-1-(4-methyl-1,3-benzoxazol-2-yl)propan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2S)-1-hydroxy-1-(4-methyl-1,3-benzoxazol-2-yl)propan-2-yl]carbamate (CID 10831008) is benzyl N-[(2S)-1-hydroxy-1-(4-methyl-1,3-benzoxazol-2-yl)propan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2S)-1-hydroxy-1-(4-methyl-1,3-benzoxazol-2-yl)propan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2S)-1-hydroxy-1-(4-methyl-1,3-benzoxazol-2-yl)propan-2-yl]carbamate is Cc1cccc2oc(C(O)[C@H](C)NC(=O)OCc3ccccc3)nc12.
What is the InChIKey of benzyl N-[(2S)-1-hydroxy-1-(4-methyl-1,3-benzoxazol-2-yl)propan-2-yl]carbamate?
The InChIKey is DTZBEUNQDWRLGN-CWQZNGJJSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-12-7-6-10-15-16(12)21-18(25-15)17(22)13(2)20-19(23)24-11-14-8-4-3-5-9-14/h3-10,13,17,22H,11H2,1-2H3,(H,20,23)/t13-,17?/m0/s1.
What are the key properties of benzyl N-[(2S)-1-hydroxy-1-(4-methyl-1,3-benzoxazol-2-yl)propan-2-yl]carbamate?
benzyl N-[(2S)-1-hydroxy-1-(4-methyl-1,3-benzoxazol-2-yl)propan-2-yl]carbamate has a molecular weight of 340.38 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S)-1-hydroxy-1-(4-methyl-1,3-benzoxazol-2-yl)propan-2-yl]carbamate is sourced from PubChem (CID 10831008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).