N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-indol-1-ylpropanamide

C17H19N3O2 — CID 87043547

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-indol-1-ylpropanamide
SMILESCc1nc(CNC(=O)CCn2ccc3ccccc32)oc1C
InChIInChI=1S/C17H19N3O2/c1-12-13(2)22-17(19-12)11-18-16(21)8-10-20-9-7-14-5-3-4-6-15(14)20/h3-7,9H,8,10-11H2,1-2H3,(H,18,21)
InChIKeyUETAHTFAQOXCAS-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.95
Rot. Bonds5

About N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-indol-1-ylpropanamide

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-indol-1-ylpropanamide (PubChem CID 87043547) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-indol-1-ylpropanamide.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-indol-1-ylpropanamide
PubChem CID87043547
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-indol-1-ylpropanamide
SMILESCc1nc(CNC(=O)CCn2ccc3ccccc32)oc1C
InChIInChI=1S/C17H19N3O2/c1-12-13(2)22-17(19-12)11-18-16(21)8-10-20-9-7-14-5-3-4-6-15(14)20/h3-7,9H,8,10-11H2,1-2H3,(H,18,21)
InChIKeyUETAHTFAQOXCAS-UHFFFAOYSA-N
XLogP2.95
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-indol-1-ylpropanamide?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-indol-1-ylpropanamide (CID 87043547) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-indol-1-ylpropanamide.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-indol-1-ylpropanamide?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-indol-1-ylpropanamide is Cc1nc(CNC(=O)CCn2ccc3ccccc32)oc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-indol-1-ylpropanamide?
The InChIKey is UETAHTFAQOXCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-12-13(2)22-17(19-12)11-18-16(21)8-10-20-9-7-14-5-3-4-6-15(14)20/h3-7,9H,8,10-11H2,1-2H3,(H,18,21).
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-indol-1-ylpropanamide?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-indol-1-ylpropanamide has a molecular weight of 297.36 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-indol-1-ylpropanamide is sourced from PubChem (CID 87043547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).