4-(1,3-benzoxazol-2-ylmethyl)-N-cyclopropyl-3-methyl-1H-pyrrole-2-carboxamide

C17H17N3O2 — CID 164626465

IUPAC4-(1,3-benzoxazol-2-ylmethyl)-N-cyclopropyl-3-methyl-1H-pyrrole-2-carboxamide
SMILESCc1c(Cc2nc3ccccc3o2)c[nH]c1C(=O)NC1CC1
InChIInChI=1S/C17H17N3O2/c1-10-11(9-18-16(10)17(21)19-12-6-7-12)8-15-20-13-4-2-3-5-14(13)22-15/h2-5,9,12,18H,6-8H2,1H3,(H,19,21)
InChIKeyCHLOQQAFWFCTLD-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.95
Rot. Bonds4

About 4-(1,3-benzoxazol-2-ylmethyl)-N-cyclopropyl-3-methyl-1H-pyrrole-2-carboxamide

4-(1,3-benzoxazol-2-ylmethyl)-N-cyclopropyl-3-methyl-1H-pyrrole-2-carboxamide (PubChem CID 164626465) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 4-(1,3-benzoxazol-2-ylmethyl)-N-cyclopropyl-3-methyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(1,3-benzoxazol-2-ylmethyl)-N-cyclopropyl-3-methyl-1H-pyrrole-2-carboxamide
PubChem CID164626465
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name4-(1,3-benzoxazol-2-ylmethyl)-N-cyclopropyl-3-methyl-1H-pyrrole-2-carboxamide
SMILESCc1c(Cc2nc3ccccc3o2)c[nH]c1C(=O)NC1CC1
InChIInChI=1S/C17H17N3O2/c1-10-11(9-18-16(10)17(21)19-12-6-7-12)8-15-20-13-4-2-3-5-14(13)22-15/h2-5,9,12,18H,6-8H2,1H3,(H,19,21)
InChIKeyCHLOQQAFWFCTLD-UHFFFAOYSA-N
XLogP2.95
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzoxazol-2-ylmethyl)-N-cyclopropyl-3-methyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-(1,3-benzoxazol-2-ylmethyl)-N-cyclopropyl-3-methyl-1H-pyrrole-2-carboxamide (CID 164626465) is 4-(1,3-benzoxazol-2-ylmethyl)-N-cyclopropyl-3-methyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-(1,3-benzoxazol-2-ylmethyl)-N-cyclopropyl-3-methyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-(1,3-benzoxazol-2-ylmethyl)-N-cyclopropyl-3-methyl-1H-pyrrole-2-carboxamide is Cc1c(Cc2nc3ccccc3o2)c[nH]c1C(=O)NC1CC1.
What is the InChIKey of 4-(1,3-benzoxazol-2-ylmethyl)-N-cyclopropyl-3-methyl-1H-pyrrole-2-carboxamide?
The InChIKey is CHLOQQAFWFCTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-10-11(9-18-16(10)17(21)19-12-6-7-12)8-15-20-13-4-2-3-5-14(13)22-15/h2-5,9,12,18H,6-8H2,1H3,(H,19,21).
What are the key properties of 4-(1,3-benzoxazol-2-ylmethyl)-N-cyclopropyl-3-methyl-1H-pyrrole-2-carboxamide?
4-(1,3-benzoxazol-2-ylmethyl)-N-cyclopropyl-3-methyl-1H-pyrrole-2-carboxamide has a molecular weight of 295.34 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzoxazol-2-ylmethyl)-N-cyclopropyl-3-methyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 164626465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).