benzyl N-(4-cyano-2-pyridin-3-yl-1,3-oxazol-5-yl)carbamate

C17H12N4O3 — CID 135394527

IUPACbenzyl N-(4-cyano-2-pyridin-3-yl-1,3-oxazol-5-yl)carbamate
SMILESN#Cc1nc(-c2cccnc2)oc1NC(=O)OCc1ccccc1
InChIInChI=1S/C17H12N4O3/c18-9-14-16(24-15(20-14)13-7-4-8-19-10-13)21-17(22)23-11-12-5-2-1-3-6-12/h1-8,10H,11H2,(H,21,22)
InChIKeyLNVLAUGFTMAXRB-UHFFFAOYSA-N
MW320.31 g/mol
LogP3.36
Rot. Bonds4

About benzyl N-(4-cyano-2-pyridin-3-yl-1,3-oxazol-5-yl)carbamate

benzyl N-(4-cyano-2-pyridin-3-yl-1,3-oxazol-5-yl)carbamate (PubChem CID 135394527) has the molecular formula C17H12N4O3 and a molecular weight of 320.31 g/mol. Its IUPAC name is benzyl N-(4-cyano-2-pyridin-3-yl-1,3-oxazol-5-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(4-cyano-2-pyridin-3-yl-1,3-oxazol-5-yl)carbamate
PubChem CID135394527
Molecular FormulaC17H12N4O3
Molecular Weight320.31 g/mol
Exact Mass320.09
IUPAC Namebenzyl N-(4-cyano-2-pyridin-3-yl-1,3-oxazol-5-yl)carbamate
SMILESN#Cc1nc(-c2cccnc2)oc1NC(=O)OCc1ccccc1
InChIInChI=1S/C17H12N4O3/c18-9-14-16(24-15(20-14)13-7-4-8-19-10-13)21-17(22)23-11-12-5-2-1-3-6-12/h1-8,10H,11H2,(H,21,22)
InChIKeyLNVLAUGFTMAXRB-UHFFFAOYSA-N
XLogP3.36
TPSA101.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl N-[4-cyano-2-(trifluoromethyl)-1,3-oxazol-5-yl]carbamate
CID 137347580
5-[(2-phenyl-2-pyrrolidin-1-ylethyl)amino]-2-pyridin-3-yl-1,3-oxazole-4-carbonitrile
CID 46300371
5-[(2-phenyl-2-piperidin-1-ylethyl)amino]-2-pyridin-3-yl-1,3-oxazole-4-carbonitrile
CID 46300372
5-[[(2R)-oxolan-2-yl]methylamino]-2-pyridin-3-yl-1,3-oxazole-4-carbonitrile
CID 51699394
benzyl N-(1-pyridin-3-ylethenyl)carbamate
CID 11851043
2-[4-[(2-chlorophenyl)methoxy]phenyl]-5-(pyridin-3-ylmethylamino)-1,3-oxazole-4-carbonitrile
CID 40632224
benzyl N-[4-(5-amino-2-pyridin-3-ylpyrimidin-4-yl)oxyphenyl]carbamate
CID 58247431
benzyl N-[2-oxo-2-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]anilino]ethyl]carbamate
CID 90562603
benzyl N-(4-cyanophenyl)carbamate
CID 4935649
benzyl N-(3-methyl-4-pyridinyl)carbamate
CID 130580947
benzyl N-[(2S)-1-oxo-3-phenyl-1-(pyridin-3-ylamino)propan-2-yl]carbamate
CID 25392424
3-[(4-cyano-2-phenyl-1,3-oxazol-5-yl)amino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
CID 39866576

Frequently Asked Questions

What is the IUPAC name of benzyl N-(4-cyano-2-pyridin-3-yl-1,3-oxazol-5-yl)carbamate?
The IUPAC name of benzyl N-(4-cyano-2-pyridin-3-yl-1,3-oxazol-5-yl)carbamate (CID 135394527) is benzyl N-(4-cyano-2-pyridin-3-yl-1,3-oxazol-5-yl)carbamate.
What is the SMILES notation for benzyl N-(4-cyano-2-pyridin-3-yl-1,3-oxazol-5-yl)carbamate?
The canonical SMILES for benzyl N-(4-cyano-2-pyridin-3-yl-1,3-oxazol-5-yl)carbamate is N#Cc1nc(-c2cccnc2)oc1NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(4-cyano-2-pyridin-3-yl-1,3-oxazol-5-yl)carbamate?
The InChIKey is LNVLAUGFTMAXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O3/c18-9-14-16(24-15(20-14)13-7-4-8-19-10-13)21-17(22)23-11-12-5-2-1-3-6-12/h1-8,10H,11H2,(H,21,22).
What are the key properties of benzyl N-(4-cyano-2-pyridin-3-yl-1,3-oxazol-5-yl)carbamate?
benzyl N-(4-cyano-2-pyridin-3-yl-1,3-oxazol-5-yl)carbamate has a molecular weight of 320.31 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(4-cyano-2-pyridin-3-yl-1,3-oxazol-5-yl)carbamate is sourced from PubChem (CID 135394527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).