2-(aminomethyl)-N-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)-1,3-oxazole-4-carboxamide

C16H18N6O3 — CID 131929514

IUPAC2-(aminomethyl)-N-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)-1,3-oxazole-4-carboxamide
SMILESNCc1nc(C(=O)Nc2cc3[nH]c(=O)[nH]c3cc2N2CCCC2)co1
InChIInChI=1S/C16H18N6O3/c17-7-14-18-12(8-25-14)15(23)19-11-5-9-10(21-16(24)20-9)6-13(11)22-3-1-2-4-22/h5-6,8H,1-4,7,17H2,(H,19,23)(H2,20,21,24)
InChIKeyDFCRGIPKJXWOSM-UHFFFAOYSA-N
MW342.36 g/mol
LogP1.16
Rot. Bonds4

About 2-(aminomethyl)-N-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)-1,3-oxazole-4-carboxamide

2-(aminomethyl)-N-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)-1,3-oxazole-4-carboxamide (PubChem CID 131929514) has the molecular formula C16H18N6O3 and a molecular weight of 342.36 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)-1,3-oxazole-4-carboxamide
PubChem CID131929514
Molecular FormulaC16H18N6O3
Molecular Weight342.36 g/mol
Exact Mass342.14
IUPAC Name2-(aminomethyl)-N-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)-1,3-oxazole-4-carboxamide
SMILESNCc1nc(C(=O)Nc2cc3[nH]c(=O)[nH]c3cc2N2CCCC2)co1
InChIInChI=1S/C16H18N6O3/c17-7-14-18-12(8-25-14)15(23)19-11-5-9-10(21-16(24)20-9)6-13(11)22-3-1-2-4-22/h5-6,8H,1-4,7,17H2,(H,19,23)(H2,20,21,24)
InChIKeyDFCRGIPKJXWOSM-UHFFFAOYSA-N
XLogP1.16
TPSA133.04 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 51.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)-1,3-oxazole-4-carboxamide (CID 131929514) is 2-(aminomethyl)-N-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)-1,3-oxazole-4-carboxamide is NCc1nc(C(=O)Nc2cc3[nH]c(=O)[nH]c3cc2N2CCCC2)co1.
What is the InChIKey of 2-(aminomethyl)-N-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is DFCRGIPKJXWOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O3/c17-7-14-18-12(8-25-14)15(23)19-11-5-9-10(21-16(24)20-9)6-13(11)22-3-1-2-4-22/h5-6,8H,1-4,7,17H2,(H,19,23)(H2,20,21,24).
What are the key properties of 2-(aminomethyl)-N-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)-1,3-oxazole-4-carboxamide?
2-(aminomethyl)-N-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 342.36 g/mol, XLogP of 1.16, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 131929514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).