N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide

C16H19N3O2 — CID 80563211

IUPACN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide
SMILESCc1noc(C)c1C(C)NC(=O)C1CNc2ccccc21
InChIInChI=1S/C16H19N3O2/c1-9(15-10(2)19-21-11(15)3)18-16(20)13-8-17-14-7-5-4-6-12(13)14/h4-7,9,13,17H,8H2,1-3H3,(H,18,20)
InChIKeyBTUKZKBWYMQVJT-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.68
Rot. Bonds3

About N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide

N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide (PubChem CID 80563211) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide
PubChem CID80563211
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide
SMILESCc1noc(C)c1C(C)NC(=O)C1CNc2ccccc21
InChIInChI=1S/C16H19N3O2/c1-9(15-10(2)19-21-11(15)3)18-16(20)13-8-17-14-7-5-4-6-12(13)14/h4-7,9,13,17H,8H2,1-3H3,(H,18,20)
InChIKeyBTUKZKBWYMQVJT-UHFFFAOYSA-N
XLogP2.68
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide?
The IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide (CID 80563211) is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide.
What is the SMILES notation for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide?
The canonical SMILES for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide is Cc1noc(C)c1C(C)NC(=O)C1CNc2ccccc21.
What is the InChIKey of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide?
The InChIKey is BTUKZKBWYMQVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-9(15-10(2)19-21-11(15)3)18-16(20)13-8-17-14-7-5-4-6-12(13)14/h4-7,9,13,17H,8H2,1-3H3,(H,18,20).
What are the key properties of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide?
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide is sourced from PubChem (CID 80563211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).