2-(4-cyclopropyl-5-oxotetrazol-1-yl)-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]acetamide

C15H18FN5O2 — CID 156527948

IUPAC2-(4-cyclopropyl-5-oxotetrazol-1-yl)-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]acetamide
SMILESCc1ccc([C@H](C)NC(=O)Cn2nnn(C3CC3)c2=O)cc1F
InChIInChI=1S/C15H18FN5O2/c1-9-3-4-11(7-13(9)16)10(2)17-14(22)8-20-15(23)21(19-18-20)12-5-6-12/h3-4,7,10,12H,5-6,8H2,1-2H3,(H,17,22)/t10-/m0/s1
InChIKeyWCEXPJSHGGRBFT-JTQLQIEISA-N
MW319.34 g/mol
LogP1.10
Rot. Bonds5

About 2-(4-cyclopropyl-5-oxotetrazol-1-yl)-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]acetamide

2-(4-cyclopropyl-5-oxotetrazol-1-yl)-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]acetamide (PubChem CID 156527948) has the molecular formula C15H18FN5O2 and a molecular weight of 319.34 g/mol. Its IUPAC name is 2-(4-cyclopropyl-5-oxotetrazol-1-yl)-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-cyclopropyl-5-oxotetrazol-1-yl)-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]acetamide
PubChem CID156527948
Molecular FormulaC15H18FN5O2
Molecular Weight319.34 g/mol
Exact Mass319.14
IUPAC Name2-(4-cyclopropyl-5-oxotetrazol-1-yl)-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]acetamide
SMILESCc1ccc([C@H](C)NC(=O)Cn2nnn(C3CC3)c2=O)cc1F
InChIInChI=1S/C15H18FN5O2/c1-9-3-4-11(7-13(9)16)10(2)17-14(22)8-20-15(23)21(19-18-20)12-5-6-12/h3-4,7,10,12H,5-6,8H2,1-2H3,(H,17,22)/t10-/m0/s1
InChIKeyWCEXPJSHGGRBFT-JTQLQIEISA-N
XLogP1.10
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-cyclopropyl-5-oxotetrazol-1-yl)-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S)-1-(4-chloro-3-fluorophenyl)ethyl]-2-[4-(5-fluoro-3-methyl-2-pyridinyl)-5-oxotetrazol-1-yl]acetamide
CID 156798002
1-[2-[1-(3-fluoro-4-methylphenyl)ethylamino]-2-oxoethyl]pyrazole-4-carboxylic acid
CID 146136990
N-[1-(3-fluoro-4-methylphenyl)ethyl]-3-sulfanylpropanamide
CID 107032695
2-[2-[1-(3-fluoro-4-methylphenyl)ethylamino]-2-oxoethyl]sulfanylacetic acid
CID 113427810
N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-3-piperidin-4-ylpropanamide
CID 124517249
2-[3-(4-chlorophenyl)-4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 58012067
N-[1-(3-fluoro-4-methylphenyl)ethyl]-3-(oxolan-2-yl)propanamide
CID 71856408
2-(8-fluoro-6-methyl-4-oxo-1,2,3-benzotriazin-3-yl)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 121349717
2-[4-cyclopropyl-3-(2,4-difluorophenyl)-5-oxo-1,2,4-triazol-1-yl]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 58011954
N-[(1S)-1-(3,4-difluorophenyl)ethyl]-2-(7-fluoro-3-oxo-[1,2,4]triazolo[4,3-b]pyridazin-2-yl)acetamide
CID 149355850
2-(4-cyclopropyl-5-oxotetrazol-1-yl)-N-[(3,4-dichlorophenyl)methyl]acetamide;ethane
CID 156797994
N-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 97053597

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-5-oxotetrazol-1-yl)-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]acetamide?
The IUPAC name of 2-(4-cyclopropyl-5-oxotetrazol-1-yl)-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]acetamide (CID 156527948) is 2-(4-cyclopropyl-5-oxotetrazol-1-yl)-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-cyclopropyl-5-oxotetrazol-1-yl)-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-cyclopropyl-5-oxotetrazol-1-yl)-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]acetamide is Cc1ccc([C@H](C)NC(=O)Cn2nnn(C3CC3)c2=O)cc1F.
What is the InChIKey of 2-(4-cyclopropyl-5-oxotetrazol-1-yl)-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]acetamide?
The InChIKey is WCEXPJSHGGRBFT-JTQLQIEISA-N. The full InChI is InChI=1S/C15H18FN5O2/c1-9-3-4-11(7-13(9)16)10(2)17-14(22)8-20-15(23)21(19-18-20)12-5-6-12/h3-4,7,10,12H,5-6,8H2,1-2H3,(H,17,22)/t10-/m0/s1.
What are the key properties of 2-(4-cyclopropyl-5-oxotetrazol-1-yl)-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]acetamide?
2-(4-cyclopropyl-5-oxotetrazol-1-yl)-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]acetamide has a molecular weight of 319.34 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyl-5-oxotetrazol-1-yl)-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]acetamide is sourced from PubChem (CID 156527948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).