5-cyclopropyl-N-[1-(pyridin-4-ylmethyl)azepan-4-yl]-1,3-oxazole-4-carboxamide

C19H24N4O2 — CID 70778180

IUPAC5-cyclopropyl-N-[1-(pyridin-4-ylmethyl)azepan-4-yl]-1,3-oxazole-4-carboxamide
SMILESO=C(NC1CCCN(Cc2ccncc2)CC1)c1ncoc1C1CC1
InChIInChI=1S/C19H24N4O2/c24-19(17-18(15-3-4-15)25-13-21-17)22-16-2-1-10-23(11-7-16)12-14-5-8-20-9-6-14/h5-6,8-9,13,15-16H,1-4,7,10-12H2,(H,22,24)
InChIKeyQDZROZUBYFBQFA-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.73
Rot. Bonds5

About 5-cyclopropyl-N-[1-(pyridin-4-ylmethyl)azepan-4-yl]-1,3-oxazole-4-carboxamide

5-cyclopropyl-N-[1-(pyridin-4-ylmethyl)azepan-4-yl]-1,3-oxazole-4-carboxamide (PubChem CID 70778180) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 5-cyclopropyl-N-[1-(pyridin-4-ylmethyl)azepan-4-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[1-(pyridin-4-ylmethyl)azepan-4-yl]-1,3-oxazole-4-carboxamide
PubChem CID70778180
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name5-cyclopropyl-N-[1-(pyridin-4-ylmethyl)azepan-4-yl]-1,3-oxazole-4-carboxamide
SMILESO=C(NC1CCCN(Cc2ccncc2)CC1)c1ncoc1C1CC1
InChIInChI=1S/C19H24N4O2/c24-19(17-18(15-3-4-15)25-13-21-17)22-16-2-1-10-23(11-7-16)12-14-5-8-20-9-6-14/h5-6,8-9,13,15-16H,1-4,7,10-12H2,(H,22,24)
InChIKeyQDZROZUBYFBQFA-UHFFFAOYSA-N
XLogP2.73
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopropyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide
CID 136579366
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyridine-4-carboxamide
CID 51239202
2-(propan-2-ylamino)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 154746519
2-chloro-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]thiophene-3-carboxamide
CID 138034135
5-methyl-N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]-1,3-oxazole-4-carboxamide
CID 45215528
2-pyridin-3-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide
CID 91774888
2-(2-hydroxyphenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide
CID 134813153
N-cyclopropyl-3-[1-(pyridin-4-ylmethyl)piperidin-3-yl]propanamide
CID 45210494
4-cyano-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-1-carboxamide
CID 48957087
N-cyclopropyl-4-(piperidin-1-ylmethyl)benzamide
CID 17407709
2-methyl-3-(methylamino)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide;dihydrochloride
CID 119848192
1-(4-chlorophenyl)-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea
CID 47049584

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[1-(pyridin-4-ylmethyl)azepan-4-yl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[1-(pyridin-4-ylmethyl)azepan-4-yl]-1,3-oxazole-4-carboxamide (CID 70778180) is 5-cyclopropyl-N-[1-(pyridin-4-ylmethyl)azepan-4-yl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[1-(pyridin-4-ylmethyl)azepan-4-yl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[1-(pyridin-4-ylmethyl)azepan-4-yl]-1,3-oxazole-4-carboxamide is O=C(NC1CCCN(Cc2ccncc2)CC1)c1ncoc1C1CC1.
What is the InChIKey of 5-cyclopropyl-N-[1-(pyridin-4-ylmethyl)azepan-4-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is QDZROZUBYFBQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c24-19(17-18(15-3-4-15)25-13-21-17)22-16-2-1-10-23(11-7-16)12-14-5-8-20-9-6-14/h5-6,8-9,13,15-16H,1-4,7,10-12H2,(H,22,24).
What are the key properties of 5-cyclopropyl-N-[1-(pyridin-4-ylmethyl)azepan-4-yl]-1,3-oxazole-4-carboxamide?
5-cyclopropyl-N-[1-(pyridin-4-ylmethyl)azepan-4-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[1-(pyridin-4-ylmethyl)azepan-4-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 70778180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).