N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]-5-methyl-1,2-oxazole-3-carboxamide

C13H17N3O3 — CID 86266703

IUPACN-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCCC(O)c2cccn2C)no1
InChIInChI=1S/C13H17N3O3/c1-9-8-10(15-19-9)13(18)14-6-5-12(17)11-4-3-7-16(11)2/h3-4,7-8,12,17H,5-6H2,1-2H3,(H,14,18)
InChIKeyKBDVRBOPNHVAEP-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.18
Rot. Bonds5

About N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]-5-methyl-1,2-oxazole-3-carboxamide

N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 86266703) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID86266703
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC NameN-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCCC(O)c2cccn2C)no1
InChIInChI=1S/C13H17N3O3/c1-9-8-10(15-19-9)13(18)14-6-5-12(17)11-4-3-7-16(11)2/h3-4,7-8,12,17H,5-6H2,1-2H3,(H,14,18)
InChIKeyKBDVRBOPNHVAEP-UHFFFAOYSA-N
XLogP1.18
TPSA80.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 86266703) is N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NCCC(O)c2cccn2C)no1.
What is the InChIKey of N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is KBDVRBOPNHVAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-9-8-10(15-19-9)13(18)14-6-5-12(17)11-4-3-7-16(11)2/h3-4,7-8,12,17H,5-6H2,1-2H3,(H,14,18).
What are the key properties of N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 263.30 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-3-(1-methylpyrrol-2-yl)propyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 86266703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).