5-cyclopropyl-N-(3-imidazol-1-ylpropyl)-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide

C19H21N5O2 — CID 74251048

IUPAC5-cyclopropyl-N-(3-imidazol-1-ylpropyl)-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESO=C(c1ncoc1C1CC1)N(CCCn1ccnc1)Cc1cccnc1
InChIInChI=1S/C19H21N5O2/c25-19(17-18(16-4-5-16)26-14-22-17)24(12-15-3-1-6-20-11-15)9-2-8-23-10-7-21-13-23/h1,3,6-7,10-11,13-14,16H,2,4-5,8-9,12H2
InChIKeyACMYNTPTJKBYLA-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.88
Rot. Bonds8

About 5-cyclopropyl-N-(3-imidazol-1-ylpropyl)-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide

5-cyclopropyl-N-(3-imidazol-1-ylpropyl)-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide (PubChem CID 74251048) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 5-cyclopropyl-N-(3-imidazol-1-ylpropyl)-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-(3-imidazol-1-ylpropyl)-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
PubChem CID74251048
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name5-cyclopropyl-N-(3-imidazol-1-ylpropyl)-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESO=C(c1ncoc1C1CC1)N(CCCn1ccnc1)Cc1cccnc1
InChIInChI=1S/C19H21N5O2/c25-19(17-18(16-4-5-16)26-14-22-17)24(12-15-3-1-6-20-11-15)9-2-8-23-10-7-21-13-23/h1,3,6-7,10-11,13-14,16H,2,4-5,8-9,12H2
InChIKeyACMYNTPTJKBYLA-UHFFFAOYSA-N
XLogP2.88
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(3-imidazol-1-ylpropyl)-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-N-(3-imidazol-1-ylpropyl)-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide (CID 74251048) is 5-cyclopropyl-N-(3-imidazol-1-ylpropyl)-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-(3-imidazol-1-ylpropyl)-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-(3-imidazol-1-ylpropyl)-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide is O=C(c1ncoc1C1CC1)N(CCCn1ccnc1)Cc1cccnc1.
What is the InChIKey of 5-cyclopropyl-N-(3-imidazol-1-ylpropyl)-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is ACMYNTPTJKBYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c25-19(17-18(16-4-5-16)26-14-22-17)24(12-15-3-1-6-20-11-15)9-2-8-23-10-7-21-13-23/h1,3,6-7,10-11,13-14,16H,2,4-5,8-9,12H2.
What are the key properties of 5-cyclopropyl-N-(3-imidazol-1-ylpropyl)-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide?
5-cyclopropyl-N-(3-imidazol-1-ylpropyl)-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 2.88, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(3-imidazol-1-ylpropyl)-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 74251048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).