N-(4,5-dihydro-1,2-oxazol-3-ylmethyl)-1-methylindole-4-carboxamide

C14H15N3O2 — CID 175777904

IUPACN-(4,5-dihydro-1,2-oxazol-3-ylmethyl)-1-methylindole-4-carboxamide
SMILESCn1ccc2c(C(=O)NCC3=NOCC3)cccc21
InChIInChI=1S/C14H15N3O2/c1-17-7-5-11-12(3-2-4-13(11)17)14(18)15-9-10-6-8-19-16-10/h2-5,7H,6,8-9H2,1H3,(H,15,18)
InChIKeySMQHCAPYHPUCTO-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.68
Rot. Bonds3

About N-(4,5-dihydro-1,2-oxazol-3-ylmethyl)-1-methylindole-4-carboxamide

N-(4,5-dihydro-1,2-oxazol-3-ylmethyl)-1-methylindole-4-carboxamide (PubChem CID 175777904) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-(4,5-dihydro-1,2-oxazol-3-ylmethyl)-1-methylindole-4-carboxamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,2-oxazol-3-ylmethyl)-1-methylindole-4-carboxamide
PubChem CID175777904
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN-(4,5-dihydro-1,2-oxazol-3-ylmethyl)-1-methylindole-4-carboxamide
SMILESCn1ccc2c(C(=O)NCC3=NOCC3)cccc21
InChIInChI=1S/C14H15N3O2/c1-17-7-5-11-12(3-2-4-13(11)17)14(18)15-9-10-6-8-19-16-10/h2-5,7H,6,8-9H2,1H3,(H,15,18)
InChIKeySMQHCAPYHPUCTO-UHFFFAOYSA-N
XLogP1.68
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylindole-4-carboxamide
CID 112528637
N-[(3,4-dimethoxyphenyl)methyl]-1-methylindole-4-carboxamide
CID 45490502
1-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]indole-4-carboxamide
CID 71704096
N-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-methylindole-4-carboxamide
CID 51721297
1-methyl-N-(1-methylimidazol-2-yl)indole-4-carboxamide
CID 134712669
N-[2-(3-chlorophenyl)ethyl]-1-methylindole-4-carboxamide
CID 112529597
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-methylindole-4-carboxamide
CID 111479014
1-methyl-N-pyrrolidin-3-ylindole-4-carboxamide
CID 112530853
4-methyl-2-[(1-methylindole-4-carbonyl)amino]pentanoic acid
CID 162868036
1-methyl-N-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]indole-4-carboxamide
CID 71880143
1-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)indole-4-carboxamide
CID 45494179
N-(2,3-dichlorophenyl)-1-methylindole-4-carboxamide
CID 112524553

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,2-oxazol-3-ylmethyl)-1-methylindole-4-carboxamide?
The IUPAC name of N-(4,5-dihydro-1,2-oxazol-3-ylmethyl)-1-methylindole-4-carboxamide (CID 175777904) is N-(4,5-dihydro-1,2-oxazol-3-ylmethyl)-1-methylindole-4-carboxamide.
What is the SMILES notation for N-(4,5-dihydro-1,2-oxazol-3-ylmethyl)-1-methylindole-4-carboxamide?
The canonical SMILES for N-(4,5-dihydro-1,2-oxazol-3-ylmethyl)-1-methylindole-4-carboxamide is Cn1ccc2c(C(=O)NCC3=NOCC3)cccc21.
What is the InChIKey of N-(4,5-dihydro-1,2-oxazol-3-ylmethyl)-1-methylindole-4-carboxamide?
The InChIKey is SMQHCAPYHPUCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-17-7-5-11-12(3-2-4-13(11)17)14(18)15-9-10-6-8-19-16-10/h2-5,7H,6,8-9H2,1H3,(H,15,18).
What are the key properties of N-(4,5-dihydro-1,2-oxazol-3-ylmethyl)-1-methylindole-4-carboxamide?
N-(4,5-dihydro-1,2-oxazol-3-ylmethyl)-1-methylindole-4-carboxamide has a molecular weight of 257.29 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,2-oxazol-3-ylmethyl)-1-methylindole-4-carboxamide is sourced from PubChem (CID 175777904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).