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

C19H24N4O2 — CID 96580545

IUPAC5-cyclopropyl-N-[(4S)-1-(pyridin-4-ylmethyl)azepan-4-yl]-1,3-oxazole-4-carboxamide
SMILESO=C(N[C@H]1CCCN(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)/t16-/m0/s1
InChIKeyQDZROZUBYFBQFA-INIZCTEOSA-N
MW340.43 g/mol
LogP2.73
Rot. Bonds5

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

5-cyclopropyl-N-[(4S)-1-(pyridin-4-ylmethyl)azepan-4-yl]-1,3-oxazole-4-carboxamide (PubChem CID 96580545) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(4S)-1-(pyridin-4-ylmethyl)azepan-4-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(4S)-1-(pyridin-4-ylmethyl)azepan-4-yl]-1,3-oxazole-4-carboxamide
PubChem CID96580545
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name5-cyclopropyl-N-[(4S)-1-(pyridin-4-ylmethyl)azepan-4-yl]-1,3-oxazole-4-carboxamide
SMILESO=C(N[C@H]1CCCN(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)/t16-/m0/s1
InChIKeyQDZROZUBYFBQFA-INIZCTEOSA-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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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(4S)-1-(pyridin-4-ylmethyl)azepan-4-yl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(4S)-1-(pyridin-4-ylmethyl)azepan-4-yl]-1,3-oxazole-4-carboxamide (CID 96580545) is 5-cyclopropyl-N-[(4S)-1-(pyridin-4-ylmethyl)azepan-4-yl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(4S)-1-(pyridin-4-ylmethyl)azepan-4-yl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(4S)-1-(pyridin-4-ylmethyl)azepan-4-yl]-1,3-oxazole-4-carboxamide is O=C(N[C@H]1CCCN(Cc2ccncc2)CC1)c1ncoc1C1CC1.
What is the InChIKey of 5-cyclopropyl-N-[(4S)-1-(pyridin-4-ylmethyl)azepan-4-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is QDZROZUBYFBQFA-INIZCTEOSA-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)/t16-/m0/s1.
What are the key properties of 5-cyclopropyl-N-[(4S)-1-(pyridin-4-ylmethyl)azepan-4-yl]-1,3-oxazole-4-carboxamide?
5-cyclopropyl-N-[(4S)-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-[(4S)-1-(pyridin-4-ylmethyl)azepan-4-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 96580545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).