N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-2-(oxan-4-yl)acetamide

C17H20ClN5O2 — CID 126795852

IUPACN-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-2-(oxan-4-yl)acetamide
SMILESO=C(CC1CCOCC1)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1
InChIInChI=1S/C17H20ClN5O2/c18-14-4-3-13(19-16(24)9-11-5-7-25-8-6-11)10-15(14)23-17(12-1-2-12)20-21-22-23/h3-4,10-12H,1-2,5-9H2,(H,19,24)
InChIKeyPCIRFAHPJLDFEO-UHFFFAOYSA-N
MW361.83 g/mol
LogP2.95
Rot. Bonds5

About N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-2-(oxan-4-yl)acetamide

N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-2-(oxan-4-yl)acetamide (PubChem CID 126795852) has the molecular formula C17H20ClN5O2 and a molecular weight of 361.83 g/mol. Its IUPAC name is N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound NameN-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-2-(oxan-4-yl)acetamide
PubChem CID126795852
Molecular FormulaC17H20ClN5O2
Molecular Weight361.83 g/mol
Exact Mass361.13
IUPAC NameN-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-2-(oxan-4-yl)acetamide
SMILESO=C(CC1CCOCC1)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1
InChIInChI=1S/C17H20ClN5O2/c18-14-4-3-13(19-16(24)9-11-5-7-25-8-6-11)10-15(14)23-17(12-1-2-12)20-21-22-23/h3-4,10-12H,1-2,5-9H2,(H,19,24)
InChIKeyPCIRFAHPJLDFEO-UHFFFAOYSA-N
XLogP2.95
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-2-(oxan-4-yl)propanamide
CID 167910778
7-amino-N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]heptanamide
CID 119795252
(2S)-2-amino-N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-4-methylpentanamide
CID 119795296
(2S)-2-amino-N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]propanamide
CID 119330131
N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119795291
(2S)-2-amino-N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-3-phenylpropanamide
CID 119330139
N-[4-methoxy-3-(5-methyltetrazol-1-yl)phenyl]-2-(oxolan-3-yl)acetamide
CID 136527239
N-(3,5-dichloro-4-hydroxyphenyl)-2-(oxan-4-yl)acetamide
CID 75437896
2-(oxan-4-yl)-N-phenylacetamide
CID 110856528
(2S)-2-amino-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]-4-methylpentanamide
CID 119812445
trans-(1R,2R)-N-[3-(5-cyclopropyltetrazol-1-yl)-4-fluorophenyl]-2-methylcyclopropane-1-carboxamide
CID 95777482
2-(oxan-4-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110862088

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-2-(oxan-4-yl)acetamide?
The IUPAC name of N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-2-(oxan-4-yl)acetamide (CID 126795852) is N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-2-(oxan-4-yl)acetamide.
What is the SMILES notation for N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-2-(oxan-4-yl)acetamide?
The canonical SMILES for N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-2-(oxan-4-yl)acetamide is O=C(CC1CCOCC1)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1.
What is the InChIKey of N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-2-(oxan-4-yl)acetamide?
The InChIKey is PCIRFAHPJLDFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN5O2/c18-14-4-3-13(19-16(24)9-11-5-7-25-8-6-11)10-15(14)23-17(12-1-2-12)20-21-22-23/h3-4,10-12H,1-2,5-9H2,(H,19,24).
What are the key properties of N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-2-(oxan-4-yl)acetamide?
N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-2-(oxan-4-yl)acetamide has a molecular weight of 361.83 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 126795852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).