N,N-dimethyl-1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-2,3-dihydroindole-5-carboxamide

C18H23N3O2 — CID 75371377

IUPACN,N-dimethyl-1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-2,3-dihydroindole-5-carboxamide
SMILESCC(C)c1cnc(CN2CCc3cc(C(=O)N(C)C)ccc32)o1
InChIInChI=1S/C18H23N3O2/c1-12(2)16-10-19-17(23-16)11-21-8-7-13-9-14(5-6-15(13)21)18(22)20(3)4/h5-6,9-10,12H,7-8,11H2,1-4H3
InChIKeyXOPRTMZTUSGMMK-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.06
Rot. Bonds4

About N,N-dimethyl-1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-2,3-dihydroindole-5-carboxamide

N,N-dimethyl-1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-2,3-dihydroindole-5-carboxamide (PubChem CID 75371377) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N,N-dimethyl-1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-2,3-dihydroindole-5-carboxamide
PubChem CID75371377
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN,N-dimethyl-1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-2,3-dihydroindole-5-carboxamide
SMILESCC(C)c1cnc(CN2CCc3cc(C(=O)N(C)C)ccc32)o1
InChIInChI=1S/C18H23N3O2/c1-12(2)16-10-19-17(23-16)11-21-8-7-13-9-14(5-6-15(13)21)18(22)20(3)4/h5-6,9-10,12H,7-8,11H2,1-4H3
InChIKeyXOPRTMZTUSGMMK-UHFFFAOYSA-N
XLogP3.06
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-2,3-dihydroindole-5-carboxamide?
The IUPAC name of N,N-dimethyl-1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-2,3-dihydroindole-5-carboxamide (CID 75371377) is N,N-dimethyl-1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for N,N-dimethyl-1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-2,3-dihydroindole-5-carboxamide is CC(C)c1cnc(CN2CCc3cc(C(=O)N(C)C)ccc32)o1.
What is the InChIKey of N,N-dimethyl-1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-2,3-dihydroindole-5-carboxamide?
The InChIKey is XOPRTMZTUSGMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-12(2)16-10-19-17(23-16)11-21-8-7-13-9-14(5-6-15(13)21)18(22)20(3)4/h5-6,9-10,12H,7-8,11H2,1-4H3.
What are the key properties of N,N-dimethyl-1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-2,3-dihydroindole-5-carboxamide?
N,N-dimethyl-1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-2,3-dihydroindole-5-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 75371377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).