[(1S)-2-(4-methoxyphenyl)-1-(2H-tetrazol-5-yl)ethyl] N-tert-butylcarbamate

C15H21N5O3 — CID 175120108

IUPAC[(1S)-2-(4-methoxyphenyl)-1-(2H-tetrazol-5-yl)ethyl] N-tert-butylcarbamate
SMILESCOc1ccc(C[C@H](OC(=O)NC(C)(C)C)c2nn[nH]n2)cc1
InChIInChI=1S/C15H21N5O3/c1-15(2,3)16-14(21)23-12(13-17-19-20-18-13)9-10-5-7-11(22-4)8-6-10/h5-8,12H,9H2,1-4H3,(H,16,21)(H,17,18,19,20)/t12-/m0/s1
InChIKeySUUPCOFXZAIDML-LBPRGKRZSA-N
MW319.37 g/mol
LogP2.02
Rot. Bonds5

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

[(1S)-2-(4-methoxyphenyl)-1-(2H-tetrazol-5-yl)ethyl] N-tert-butylcarbamate (PubChem CID 175120108) has the molecular formula C15H21N5O3 and a molecular weight of 319.37 g/mol. Its IUPAC name is [(1S)-2-(4-methoxyphenyl)-1-(2H-tetrazol-5-yl)ethyl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[(1S)-2-(4-methoxyphenyl)-1-(2H-tetrazol-5-yl)ethyl] N-tert-butylcarbamate
PubChem CID175120108
Molecular FormulaC15H21N5O3
Molecular Weight319.37 g/mol
Exact Mass319.16
IUPAC Name[(1S)-2-(4-methoxyphenyl)-1-(2H-tetrazol-5-yl)ethyl] N-tert-butylcarbamate
SMILESCOc1ccc(C[C@H](OC(=O)NC(C)(C)C)c2nn[nH]n2)cc1
InChIInChI=1S/C15H21N5O3/c1-15(2,3)16-14(21)23-12(13-17-19-20-18-13)9-10-5-7-11(22-4)8-6-10/h5-8,12H,9H2,1-4H3,(H,16,21)(H,17,18,19,20)/t12-/m0/s1
InChIKeySUUPCOFXZAIDML-LBPRGKRZSA-N
XLogP2.02
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[(1S)-2-(4-methoxyphenyl)-1-(2H-tetrazol-5-yl)ethyl] carbamate
CID 175117107
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
4-methoxy-N-[1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 60910753
2-(4-methoxyphenoxy)-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide
CID 60929201
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
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
[(2S)-1-amino-3-(4-bromophenyl)-1-oxopropan-2-yl] N-tert-butylcarbamate
CID 175125810
[1-(1H-imidazol-2-yl)-2-(4-phenylmethoxyphenyl)ethyl] N-tert-butylcarbamate
CID 175256655

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-(4-methoxyphenyl)-1-(2H-tetrazol-5-yl)ethyl] N-tert-butylcarbamate?
The IUPAC name of [(1S)-2-(4-methoxyphenyl)-1-(2H-tetrazol-5-yl)ethyl] N-tert-butylcarbamate (CID 175120108) is [(1S)-2-(4-methoxyphenyl)-1-(2H-tetrazol-5-yl)ethyl] N-tert-butylcarbamate.
What is the SMILES notation for [(1S)-2-(4-methoxyphenyl)-1-(2H-tetrazol-5-yl)ethyl] N-tert-butylcarbamate?
The canonical SMILES for [(1S)-2-(4-methoxyphenyl)-1-(2H-tetrazol-5-yl)ethyl] N-tert-butylcarbamate is COc1ccc(C[C@H](OC(=O)NC(C)(C)C)c2nn[nH]n2)cc1.
What is the InChIKey of [(1S)-2-(4-methoxyphenyl)-1-(2H-tetrazol-5-yl)ethyl] N-tert-butylcarbamate?
The InChIKey is SUUPCOFXZAIDML-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21N5O3/c1-15(2,3)16-14(21)23-12(13-17-19-20-18-13)9-10-5-7-11(22-4)8-6-10/h5-8,12H,9H2,1-4H3,(H,16,21)(H,17,18,19,20)/t12-/m0/s1.
What are the key properties of [(1S)-2-(4-methoxyphenyl)-1-(2H-tetrazol-5-yl)ethyl] N-tert-butylcarbamate?
[(1S)-2-(4-methoxyphenyl)-1-(2H-tetrazol-5-yl)ethyl] N-tert-butylcarbamate has a molecular weight of 319.37 g/mol, XLogP of 2.02, 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] N-tert-butylcarbamate is sourced from PubChem (CID 175120108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).