N-[(2R)-2-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-hydroxy-3-(1-methylcyclopropyl)propanoyl]-1,2-oxazolidine-3-carboxamide

C19H23ClN6O4 — CID 140545232

IUPACN-[(2R)-2-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-hydroxy-3-(1-methylcyclopropyl)propanoyl]-1,2-oxazolidine-3-carboxamide
SMILESCC1(C[C@@](O)(Cc2cc(Cl)ccc2-n2cnnn2)C(=O)NC(=O)C2CCON2)CC1
InChIInChI=1S/C19H23ClN6O4/c1-18(5-6-18)10-19(29,17(28)22-16(27)14-4-7-30-23-14)9-12-8-13(20)2-3-15(12)26-11-21-24-25-26/h2-3,8,11,14,23,29H,4-7,9-10H2,1H3,(H,22,27,28)/t14?,19-/m0/s1
InChIKeyALIOGGBIGMSKPF-PKDNWHCCSA-N
MW434.88 g/mol
LogP0.72
Rot. Bonds7

About N-[(2R)-2-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-hydroxy-3-(1-methylcyclopropyl)propanoyl]-1,2-oxazolidine-3-carboxamide

N-[(2R)-2-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-hydroxy-3-(1-methylcyclopropyl)propanoyl]-1,2-oxazolidine-3-carboxamide (PubChem CID 140545232) has the molecular formula C19H23ClN6O4 and a molecular weight of 434.88 g/mol. Its IUPAC name is N-[(2R)-2-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-hydroxy-3-(1-methylcyclopropyl)propanoyl]-1,2-oxazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-hydroxy-3-(1-methylcyclopropyl)propanoyl]-1,2-oxazolidine-3-carboxamide
PubChem CID140545232
Molecular FormulaC19H23ClN6O4
Molecular Weight434.88 g/mol
Exact Mass434.15
IUPAC NameN-[(2R)-2-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-hydroxy-3-(1-methylcyclopropyl)propanoyl]-1,2-oxazolidine-3-carboxamide
SMILESCC1(C[C@@](O)(Cc2cc(Cl)ccc2-n2cnnn2)C(=O)NC(=O)C2CCON2)CC1
InChIInChI=1S/C19H23ClN6O4/c1-18(5-6-18)10-19(29,17(28)22-16(27)14-4-7-30-23-14)9-12-8-13(20)2-3-15(12)26-11-21-24-25-26/h2-3,8,11,14,23,29H,4-7,9-10H2,1H3,(H,22,27,28)/t14?,19-/m0/s1
InChIKeyALIOGGBIGMSKPF-PKDNWHCCSA-N
XLogP0.72
TPSA131.26 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.88
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

(3S)-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-1,2-oxazolidine-3-carboxamide;hydrochloride
CID 66755297
(2S,3R)-1-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-methylpyrrolidine-2-carboxamide
CID 90881973
acetic acid;[5-chloro-2-(tetrazol-1-yl)phenyl]methanamine
CID 68844112
N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-1-[(2R)-piperidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 142162747
tert-butyl (2S)-2-[3-[5-chloro-2-(tetrazol-1-yl)phenyl]propanoyl]azetidine-1-carboxylate
CID 160702453
[(1R)-2-[(3S)-3-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylcarbamoyl]-3,4-dihydropyrazol-2-yl]-1-(4-fluorophenyl)-2-oxoethyl] propanoate
CID 44548240
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[5-chloro-2-(tetrazol-1-yl)phenyl]methanone;hydrochloride
CID 120804102
3-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-[(3S)-2-[(2R)-2-cyclopentyl-2-hydroxyacetyl]-1,2-oxazolidin-3-yl]propan-1-one
CID 58287727
(2S)-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3,3-dimethyl-N-[(2R)-2-methylpyrrolidine-1-carbonyl]pyrrolidine-2-carboxamide
CID 91075168
(4S)-4-amino-1-[5-chloro-2-(tetrazol-1-yl)phenyl]pentan-3-one
CID 157144853
(3S)-2-[(2R)-2-amino-4,4-dimethylpentanoyl]-N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3,4-dihydropyrazole-3-carboxamide
CID 58017518
N-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-[2-(2,3-difluorophenyl)-2-hydroxyacetyl]-1,2-oxazolidine-3-carboxamide
CID 140545256

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-hydroxy-3-(1-methylcyclopropyl)propanoyl]-1,2-oxazolidine-3-carboxamide?
The IUPAC name of N-[(2R)-2-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-hydroxy-3-(1-methylcyclopropyl)propanoyl]-1,2-oxazolidine-3-carboxamide (CID 140545232) is N-[(2R)-2-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-hydroxy-3-(1-methylcyclopropyl)propanoyl]-1,2-oxazolidine-3-carboxamide.
What is the SMILES notation for N-[(2R)-2-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-hydroxy-3-(1-methylcyclopropyl)propanoyl]-1,2-oxazolidine-3-carboxamide?
The canonical SMILES for N-[(2R)-2-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-hydroxy-3-(1-methylcyclopropyl)propanoyl]-1,2-oxazolidine-3-carboxamide is CC1(C[C@@](O)(Cc2cc(Cl)ccc2-n2cnnn2)C(=O)NC(=O)C2CCON2)CC1.
What is the InChIKey of N-[(2R)-2-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-hydroxy-3-(1-methylcyclopropyl)propanoyl]-1,2-oxazolidine-3-carboxamide?
The InChIKey is ALIOGGBIGMSKPF-PKDNWHCCSA-N. The full InChI is InChI=1S/C19H23ClN6O4/c1-18(5-6-18)10-19(29,17(28)22-16(27)14-4-7-30-23-14)9-12-8-13(20)2-3-15(12)26-11-21-24-25-26/h2-3,8,11,14,23,29H,4-7,9-10H2,1H3,(H,22,27,28)/t14?,19-/m0/s1.
What are the key properties of N-[(2R)-2-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-hydroxy-3-(1-methylcyclopropyl)propanoyl]-1,2-oxazolidine-3-carboxamide?
N-[(2R)-2-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-hydroxy-3-(1-methylcyclopropyl)propanoyl]-1,2-oxazolidine-3-carboxamide has a molecular weight of 434.88 g/mol, XLogP of 0.72, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-2-hydroxy-3-(1-methylcyclopropyl)propanoyl]-1,2-oxazolidine-3-carboxamide is sourced from PubChem (CID 140545232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).