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

C18H22ClN5O2 — CID 167910778

IUPACN-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-2-(oxan-4-yl)propanamide
SMILESCC(C(=O)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1)C1CCOCC1
InChIInChI=1S/C18H22ClN5O2/c1-11(12-6-8-26-9-7-12)18(25)20-14-4-5-15(19)16(10-14)24-17(13-2-3-13)21-22-23-24/h4-5,10-13H,2-3,6-9H2,1H3,(H,20,25)
InChIKeyAOTIFRDJXCGWRI-UHFFFAOYSA-N
MW375.86 g/mol
LogP3.19
Rot. Bonds5

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

N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-2-(oxan-4-yl)propanamide (PubChem CID 167910778) has the molecular formula C18H22ClN5O2 and a molecular weight of 375.86 g/mol. Its IUPAC name is N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-2-(oxan-4-yl)propanamide.

Molecular Properties

Compound NameN-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-2-(oxan-4-yl)propanamide
PubChem CID167910778
Molecular FormulaC18H22ClN5O2
Molecular Weight375.86 g/mol
Exact Mass375.15
IUPAC NameN-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-2-(oxan-4-yl)propanamide
SMILESCC(C(=O)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1)C1CCOCC1
InChIInChI=1S/C18H22ClN5O2/c1-11(12-6-8-26-9-7-12)18(25)20-14-4-5-15(19)16(10-14)24-17(13-2-3-13)21-22-23-24/h4-5,10-13H,2-3,6-9H2,1H3,(H,20,25)
InChIKeyAOTIFRDJXCGWRI-UHFFFAOYSA-N
XLogP3.19
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-amino-N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]propanamide
CID 119330131
(2S)-2-amino-N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-4-methylpentanamide
CID 119795296
N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-2-(oxan-4-yl)acetamide
CID 126795852
(2S)-2-amino-N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-3-phenylpropanamide
CID 119330139
7-amino-N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]heptanamide
CID 119795252
(2S)-2-amino-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]-4-methylpentanamide
CID 119812445
2-methyl-5-[2-(oxan-4-yl)propanoylamino]benzoic acid
CID 120688109
4-[2-(oxan-4-yl)propanoylamino]benzoic acid
CID 120684653
N-(4-methoxyphenyl)-2-(oxan-4-yl)propanamide
CID 110876397
trans-(1R,2R)-N-[3-(5-cyclopropyltetrazol-1-yl)-4-fluorophenyl]-2-methylcyclopropane-1-carboxamide
CID 95777482
N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]-3-methylfuran-2-carboxamide
CID 71858611
3-[[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]carbamoyl-methylamino]-2-methylpropanoic acid
CID 122086478

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-2-(oxan-4-yl)propanamide?
The IUPAC name of N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-2-(oxan-4-yl)propanamide (CID 167910778) is N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-2-(oxan-4-yl)propanamide.
What is the SMILES notation for N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-2-(oxan-4-yl)propanamide?
The canonical SMILES for N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-2-(oxan-4-yl)propanamide is CC(C(=O)Nc1ccc(Cl)c(-n2nnnc2C2CC2)c1)C1CCOCC1.
What is the InChIKey of N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-2-(oxan-4-yl)propanamide?
The InChIKey is AOTIFRDJXCGWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN5O2/c1-11(12-6-8-26-9-7-12)18(25)20-14-4-5-15(19)16(10-14)24-17(13-2-3-13)21-22-23-24/h4-5,10-13H,2-3,6-9H2,1H3,(H,20,25).
What are the key properties of N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-2-(oxan-4-yl)propanamide?
N-[4-chloro-3-(5-cyclopropyltetrazol-1-yl)phenyl]-2-(oxan-4-yl)propanamide has a molecular weight of 375.86 g/mol, XLogP of 3.19, 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)propanamide is sourced from PubChem (CID 167910778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).