N-butyl-4-[4-(2,3-dihydro-1H-indol-1-ylmethyl)-5-methyl-1,3-oxazol-2-yl]benzamide

C24H27N3O2 — CID 16029509

IUPACN-butyl-4-[4-(2,3-dihydroindol-1-ylmethyl)-5-methyl-1,3-oxazol-2-yl]benzamide
SMILESCCCCNC(=O)C1=CC=C(C=C1)C2=NC(=C(O2)C)CN3CCC4=CC=CC=C43
InChIInChI=1S/C24H27N3O2/c1-3-4-14-25-23(28)19-9-11-20(12-10-19)24-26-21(17(2)29-24)16-27-15-13-18-7-5-6-8-22(18)27/h5-12H,3-4,13-16H2,1-2H3,(H,25,28)
InChIKeyJWAMVCHRLNTNOS-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.60
Rot. Bonds7

About N-butyl-4-[4-(2,3-dihydro-1H-indol-1-ylmethyl)-5-methyl-1,3-oxazol-2-yl]benzamide

N-butyl-4-[4-(2,3-dihydro-1H-indol-1-ylmethyl)-5-methyl-1,3-oxazol-2-yl]benzamide (PubChem CID 16029509) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-butyl-4-[4-(2,3-dihydroindol-1-ylmethyl)-5-methyl-1,3-oxazol-2-yl]benzamide.

Molecular Properties

Compound NameN-butyl-4-[4-(2,3-dihydro-1H-indol-1-ylmethyl)-5-methyl-1,3-oxazol-2-yl]benzamide
PubChem CID16029509
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC NameN-butyl-4-[4-(2,3-dihydroindol-1-ylmethyl)-5-methyl-1,3-oxazol-2-yl]benzamide
SMILESCCCCNC(=O)C1=CC=C(C=C1)C2=NC(=C(O2)C)CN3CCC4=CC=CC=C43
InChIInChI=1S/C24H27N3O2/c1-3-4-14-25-23(28)19-9-11-20(12-10-19)24-26-21(17(2)29-24)16-27-15-13-18-7-5-6-8-22(18)27/h5-12H,3-4,13-16H2,1-2H3,(H,25,28)
InChIKeyJWAMVCHRLNTNOS-UHFFFAOYSA-N
XLogP4.60
TPSA58.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity534

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-butyl-4-[4-(2,3-dihydro-1H-indol-1-ylmethyl)-5-methyl-1,3-oxazol-2-yl]benzamide with MolForge

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Related Compounds

L 697639
CID 60832
L 696040
CID 131887
2-(((2-(4-Ethylphenyl)-5-methyloxazol-4-yl)methyl)thio)-N-phenethylacetamide
CID 6622273
Dimethyl-POPOP
CID 76491
3-((7-Methyl-Benzoxazol-2-ylmethyl)amino)-5-ethyl-6-methlpyridin-2(1H)-one
CID 453443
3-{[(4,7-Dimethyl-1,3-benzoxazol-2-yl)methyl](methyl)amino}-5-ethyl-6-methyl-1,2-dihydropyridin-2-one
CID 454420
3-(1,3-benzoxazol-2-ylmethylamino)-5-ethyl-4,6-dimethyl-1H-pyridin-2-one
CID 454434
3-((4-Methylbenzoxazol-2-ylmethyl)amino)-5-ethyl-6-methlpyridin-2(1H)-one
CID 453442
2(1H)-Pyridinone, 5-ethyl-3-(((7-ethyl-2-benzoxazolyl)methyl)amino)-6-methyl-
CID 454405
N-[(2s)-2-[(2-Benzoylphenyl)amino]-3-{4-[2-(5-Methyl-2-Phenyl-1,3-Oxazol-4-Yl)ethoxy]phenyl}propyl]acetamide
CID 11635549
N-[3-(2-Ethyl-benzooxazol-7-yl)-propyl]-acetamide
CID 22718561
(2S)-N-[1-(1,3-benzoxazol-2-yl)-5-carbamimidamido-1-oxopentan-2-yl]-1-[(2R)-2-(methylamino)-3-phenylpropanoyl]pyrrolidine-2-carboxamide
CID 23646601

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[4-(2,3-dihydro-1H-indol-1-ylmethyl)-5-methyl-1,3-oxazol-2-yl]benzamide?
The IUPAC name of N-butyl-4-[4-(2,3-dihydro-1H-indol-1-ylmethyl)-5-methyl-1,3-oxazol-2-yl]benzamide (CID 16029509) is N-butyl-4-[4-(2,3-dihydroindol-1-ylmethyl)-5-methyl-1,3-oxazol-2-yl]benzamide.
What is the SMILES notation for N-butyl-4-[4-(2,3-dihydro-1H-indol-1-ylmethyl)-5-methyl-1,3-oxazol-2-yl]benzamide?
The canonical SMILES for N-butyl-4-[4-(2,3-dihydro-1H-indol-1-ylmethyl)-5-methyl-1,3-oxazol-2-yl]benzamide is CCCCNC(=O)C1=CC=C(C=C1)C2=NC(=C(O2)C)CN3CCC4=CC=CC=C43.
What is the InChIKey of N-butyl-4-[4-(2,3-dihydro-1H-indol-1-ylmethyl)-5-methyl-1,3-oxazol-2-yl]benzamide?
The InChIKey is JWAMVCHRLNTNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-3-4-14-25-23(28)19-9-11-20(12-10-19)24-26-21(17(2)29-24)16-27-15-13-18-7-5-6-8-22(18)27/h5-12H,3-4,13-16H2,1-2H3,(H,25,28).
What are the key properties of N-butyl-4-[4-(2,3-dihydro-1H-indol-1-ylmethyl)-5-methyl-1,3-oxazol-2-yl]benzamide?
N-butyl-4-[4-(2,3-dihydro-1H-indol-1-ylmethyl)-5-methyl-1,3-oxazol-2-yl]benzamide has a molecular weight of 389.50 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-[4-(2,3-dihydro-1H-indol-1-ylmethyl)-5-methyl-1,3-oxazol-2-yl]benzamide is sourced from PubChem (CID 16029509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).