[(1S)-2-(4-chlorophenyl)-1-[2-(2-hydroxyethyl)tetrazol-5-yl]ethyl]carbamic acid

C12H14ClN5O3 — CID 135239060

IUPAC[(1S)-2-(4-chlorophenyl)-1-[2-(2-hydroxyethyl)tetrazol-5-yl]ethyl]carbamic acid
SMILESO=C(O)N[C@@H](Cc1ccc(Cl)cc1)c1nnn(CCO)n1
InChIInChI=1S/C12H14ClN5O3/c13-9-3-1-8(2-4-9)7-10(14-12(20)21)11-15-17-18(16-11)5-6-19/h1-4,10,14,19H,5-7H2,(H,20,21)/t10-/m0/s1
InChIKeyRZFPBWDRXJFEQF-JTQLQIEISA-N
MW311.73 g/mol
LogP0.87
Rot. Bonds6

About [(1S)-2-(4-chlorophenyl)-1-[2-(2-hydroxyethyl)tetrazol-5-yl]ethyl]carbamic acid

[(1S)-2-(4-chlorophenyl)-1-[2-(2-hydroxyethyl)tetrazol-5-yl]ethyl]carbamic acid (PubChem CID 135239060) has the molecular formula C12H14ClN5O3 and a molecular weight of 311.73 g/mol. Its IUPAC name is [(1S)-2-(4-chlorophenyl)-1-[2-(2-hydroxyethyl)tetrazol-5-yl]ethyl]carbamic acid.

Molecular Properties

Compound Name[(1S)-2-(4-chlorophenyl)-1-[2-(2-hydroxyethyl)tetrazol-5-yl]ethyl]carbamic acid
PubChem CID135239060
Molecular FormulaC12H14ClN5O3
Molecular Weight311.73 g/mol
Exact Mass311.08
IUPAC Name[(1S)-2-(4-chlorophenyl)-1-[2-(2-hydroxyethyl)tetrazol-5-yl]ethyl]carbamic acid
SMILESO=C(O)N[C@@H](Cc1ccc(Cl)cc1)c1nnn(CCO)n1
InChIInChI=1S/C12H14ClN5O3/c13-9-3-1-8(2-4-9)7-10(14-12(20)21)11-15-17-18(16-11)5-6-19/h1-4,10,14,19H,5-7H2,(H,20,21)/t10-/m0/s1
InChIKeyRZFPBWDRXJFEQF-JTQLQIEISA-N
XLogP0.87
TPSA113.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.73
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-methoxyphenyl)-1-[2-(2-methylsulfonylethyl)tetrazol-5-yl]ethyl]carbamic acid
CID 135238859
tert-butyl N-[1-[2-(2-hydroxyethyl)tetrazol-5-yl]-2-(4-methoxyphenyl)ethyl]carbamate
CID 175114027
tert-butyl N-[(1S)-2-(4-cyanophenyl)-1-[2-(2-hydroxyethyl)tetrazol-5-yl]ethyl]carbamate
CID 135255289
1-[(1S)-2-(4-cyanophenyl)-1-[2-(2-hydroxyethyl)tetrazol-5-yl]ethyl]-3-(4-fluorophenyl)urea
CID 135239009
N-[2-(4-chlorophenyl)-1-phenylethyl]-2-(tetrazol-1-yl)acetamide
CID 60548183
N-[2-(4-chlorophenyl)-1-phenylethyl]-3-methylbutanamide
CID 60548268
tert-butyl N-[(1S)-2-(4-chlorophenyl)-1-(2H-tetrazol-5-yl)ethyl]carbamate
CID 135255285
3-(4-chlorophenyl)-2-(5,6-dimethyl-1,2,4-triazin-3-yl)propanoic acid
CID 114788133
(1R,2R)-1,2-bis(2-benzyltetrazol-5-yl)ethane-1,2-diol
CID 11268940
(2S)-2-[(4-chlorophenyl)methyl]butanedioic acid
CID 911262
2-[1-(4-chlorophenyl)propan-2-ylamino]propanoic acid
CID 66173510
N-[2-(4-chlorophenyl)-1-phenylethyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 60548455

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-(4-chlorophenyl)-1-[2-(2-hydroxyethyl)tetrazol-5-yl]ethyl]carbamic acid?
The IUPAC name of [(1S)-2-(4-chlorophenyl)-1-[2-(2-hydroxyethyl)tetrazol-5-yl]ethyl]carbamic acid (CID 135239060) is [(1S)-2-(4-chlorophenyl)-1-[2-(2-hydroxyethyl)tetrazol-5-yl]ethyl]carbamic acid.
What is the SMILES notation for [(1S)-2-(4-chlorophenyl)-1-[2-(2-hydroxyethyl)tetrazol-5-yl]ethyl]carbamic acid?
The canonical SMILES for [(1S)-2-(4-chlorophenyl)-1-[2-(2-hydroxyethyl)tetrazol-5-yl]ethyl]carbamic acid is O=C(O)N[C@@H](Cc1ccc(Cl)cc1)c1nnn(CCO)n1.
What is the InChIKey of [(1S)-2-(4-chlorophenyl)-1-[2-(2-hydroxyethyl)tetrazol-5-yl]ethyl]carbamic acid?
The InChIKey is RZFPBWDRXJFEQF-JTQLQIEISA-N. The full InChI is InChI=1S/C12H14ClN5O3/c13-9-3-1-8(2-4-9)7-10(14-12(20)21)11-15-17-18(16-11)5-6-19/h1-4,10,14,19H,5-7H2,(H,20,21)/t10-/m0/s1.
What are the key properties of [(1S)-2-(4-chlorophenyl)-1-[2-(2-hydroxyethyl)tetrazol-5-yl]ethyl]carbamic acid?
[(1S)-2-(4-chlorophenyl)-1-[2-(2-hydroxyethyl)tetrazol-5-yl]ethyl]carbamic acid has a molecular weight of 311.73 g/mol, XLogP of 0.87, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-(4-chlorophenyl)-1-[2-(2-hydroxyethyl)tetrazol-5-yl]ethyl]carbamic acid is sourced from PubChem (CID 135239060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).