[(1S)-2-(4-methoxyphenyl)-1-(2H-tetrazol-5-yl)ethyl] carbamate

C11H13N5O3 — CID 175117107

IUPAC[(1S)-2-(4-methoxyphenyl)-1-(2H-tetrazol-5-yl)ethyl] carbamate
SMILESCOc1ccc(C[C@H](OC(N)=O)c2nn[nH]n2)cc1
InChIInChI=1S/C11H13N5O3/c1-18-8-4-2-7(3-5-8)6-9(19-11(12)17)10-13-15-16-14-10/h2-5,9H,6H2,1H3,(H2,12,17)(H,13,14,15,16)/t9-/m0/s1
InChIKeyRPEXMEKOJCEEKG-VIFPVBQESA-N
MW263.26 g/mol
LogP0.59
Rot. Bonds5

About [(1S)-2-(4-methoxyphenyl)-1-(2H-tetrazol-5-yl)ethyl] carbamate

[(1S)-2-(4-methoxyphenyl)-1-(2H-tetrazol-5-yl)ethyl] carbamate (PubChem CID 175117107) has the molecular formula C11H13N5O3 and a molecular weight of 263.26 g/mol. Its IUPAC name is [(1S)-2-(4-methoxyphenyl)-1-(2H-tetrazol-5-yl)ethyl] carbamate.

Molecular Properties

Compound Name[(1S)-2-(4-methoxyphenyl)-1-(2H-tetrazol-5-yl)ethyl] carbamate
PubChem CID175117107
Molecular FormulaC11H13N5O3
Molecular Weight263.26 g/mol
Exact Mass263.10
IUPAC Name[(1S)-2-(4-methoxyphenyl)-1-(2H-tetrazol-5-yl)ethyl] carbamate
SMILESCOc1ccc(C[C@H](OC(N)=O)c2nn[nH]n2)cc1
InChIInChI=1S/C11H13N5O3/c1-18-8-4-2-7(3-5-8)6-9(19-11(12)17)10-13-15-16-14-10/h2-5,9H,6H2,1H3,(H2,12,17)(H,13,14,15,16)/t9-/m0/s1
InChIKeyRPEXMEKOJCEEKG-VIFPVBQESA-N
XLogP0.59
TPSA116.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[(1S)-2-(4-methoxyphenyl)-1-(2H-tetrazol-5-yl)ethyl] N-tert-butylcarbamate
CID 175120108
5-[(2S)-1-(4-methoxyphenyl)propan-2-yl]-2H-tetrazole
CID 160520580
3-(4-methoxyphenyl)-N-(2-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 23800634
N-(2-methoxyphenyl)-3-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3170973
(2S)-3-(4-methoxyphenyl)-N-(3-methylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 862468
N-(2,4-dimethylphenyl)-3-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3603040
4-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 60910753
methyl 3-(4-methoxyphenyl)-3-(2H-tetrazol-5-yl)propanoate
CID 112511636
N-(3-fluorophenyl)-3-(4-methoxyphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3603044
2-(4-methoxyphenoxy)-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide
CID 60929201
[(1S,2S)-2-(4-methoxyphenyl)-1-(2H-tetrazol-5-yl)propyl]carbamic acid
CID 135238899
methyl 3-amino-2-[(4-methoxyphenyl)methyl]-3-oxopropanoate
CID 174993577

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-(4-methoxyphenyl)-1-(2H-tetrazol-5-yl)ethyl] carbamate?
The IUPAC name of [(1S)-2-(4-methoxyphenyl)-1-(2H-tetrazol-5-yl)ethyl] carbamate (CID 175117107) is [(1S)-2-(4-methoxyphenyl)-1-(2H-tetrazol-5-yl)ethyl] carbamate.
What is the SMILES notation for [(1S)-2-(4-methoxyphenyl)-1-(2H-tetrazol-5-yl)ethyl] carbamate?
The canonical SMILES for [(1S)-2-(4-methoxyphenyl)-1-(2H-tetrazol-5-yl)ethyl] carbamate is COc1ccc(C[C@H](OC(N)=O)c2nn[nH]n2)cc1.
What is the InChIKey of [(1S)-2-(4-methoxyphenyl)-1-(2H-tetrazol-5-yl)ethyl] carbamate?
The InChIKey is RPEXMEKOJCEEKG-VIFPVBQESA-N. The full InChI is InChI=1S/C11H13N5O3/c1-18-8-4-2-7(3-5-8)6-9(19-11(12)17)10-13-15-16-14-10/h2-5,9H,6H2,1H3,(H2,12,17)(H,13,14,15,16)/t9-/m0/s1.
What are the key properties of [(1S)-2-(4-methoxyphenyl)-1-(2H-tetrazol-5-yl)ethyl] carbamate?
[(1S)-2-(4-methoxyphenyl)-1-(2H-tetrazol-5-yl)ethyl] carbamate has a molecular weight of 263.26 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-(4-methoxyphenyl)-1-(2H-tetrazol-5-yl)ethyl] carbamate is sourced from PubChem (CID 175117107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).