N-[(2-methyl-1H-indol-5-yl)methyl]-3-(oxolan-3-yl)-1,2-oxazole-5-carboxamide

C18H19N3O3 — CID 123750743

IUPACN-[(2-methyl-1H-indol-5-yl)methyl]-3-(oxolan-3-yl)-1,2-oxazole-5-carboxamide
SMILESCc1cc2cc(CNC(=O)c3cc(C4CCOC4)no3)ccc2[nH]1
InChIInChI=1S/C18H19N3O3/c1-11-6-14-7-12(2-3-15(14)20-11)9-19-18(22)17-8-16(21-24-17)13-4-5-23-10-13/h2-3,6-8,13,20H,4-5,9-10H2,1H3,(H,19,22)
InChIKeyOUHXJLUNUBCVLG-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.90
Rot. Bonds4

About N-[(2-methyl-1H-indol-5-yl)methyl]-3-(oxolan-3-yl)-1,2-oxazole-5-carboxamide

N-[(2-methyl-1H-indol-5-yl)methyl]-3-(oxolan-3-yl)-1,2-oxazole-5-carboxamide (PubChem CID 123750743) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[(2-methyl-1H-indol-5-yl)methyl]-3-(oxolan-3-yl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-methyl-1H-indol-5-yl)methyl]-3-(oxolan-3-yl)-1,2-oxazole-5-carboxamide
PubChem CID123750743
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN-[(2-methyl-1H-indol-5-yl)methyl]-3-(oxolan-3-yl)-1,2-oxazole-5-carboxamide
SMILESCc1cc2cc(CNC(=O)c3cc(C4CCOC4)no3)ccc2[nH]1
InChIInChI=1S/C18H19N3O3/c1-11-6-14-7-12(2-3-15(14)20-11)9-19-18(22)17-8-16(21-24-17)13-4-5-23-10-13/h2-3,6-8,13,20H,4-5,9-10H2,1H3,(H,19,22)
InChIKeyOUHXJLUNUBCVLG-UHFFFAOYSA-N
XLogP2.90
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methyl-1H-indol-5-yl)methylcarbamic acid
CID 118078535
4-fluoro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide
CID 5096418
3-cyclopropyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1,2-oxazole-5-carboxamide
CID 137218799
N-[(2-methyl-1H-indol-5-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 138042465
2,4-dichloro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide
CID 5096662
3-chloro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide
CID 5096420
(2R)-2-chloro-N-[(2-methyl-1H-indol-5-yl)methyl]propanamide
CID 7158869
N-benzyl-2-methyl-1H-indole-5-carboxamide
CID 110695037
1-tert-butyl-3-[(2-methyl-1H-indol-5-yl)methyl]urea
CID 110668194
2-methoxy-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide
CID 4549485
N-[[3-methyl-2-(oxan-4-yl)-1H-indol-5-yl]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 156814046
N-(2-methyl-1H-indol-5-yl)oxane-4-carboxamide
CID 97185524

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1H-indol-5-yl)methyl]-3-(oxolan-3-yl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(2-methyl-1H-indol-5-yl)methyl]-3-(oxolan-3-yl)-1,2-oxazole-5-carboxamide (CID 123750743) is N-[(2-methyl-1H-indol-5-yl)methyl]-3-(oxolan-3-yl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(2-methyl-1H-indol-5-yl)methyl]-3-(oxolan-3-yl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(2-methyl-1H-indol-5-yl)methyl]-3-(oxolan-3-yl)-1,2-oxazole-5-carboxamide is Cc1cc2cc(CNC(=O)c3cc(C4CCOC4)no3)ccc2[nH]1.
What is the InChIKey of N-[(2-methyl-1H-indol-5-yl)methyl]-3-(oxolan-3-yl)-1,2-oxazole-5-carboxamide?
The InChIKey is OUHXJLUNUBCVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-11-6-14-7-12(2-3-15(14)20-11)9-19-18(22)17-8-16(21-24-17)13-4-5-23-10-13/h2-3,6-8,13,20H,4-5,9-10H2,1H3,(H,19,22).
What are the key properties of N-[(2-methyl-1H-indol-5-yl)methyl]-3-(oxolan-3-yl)-1,2-oxazole-5-carboxamide?
N-[(2-methyl-1H-indol-5-yl)methyl]-3-(oxolan-3-yl)-1,2-oxazole-5-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1H-indol-5-yl)methyl]-3-(oxolan-3-yl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 123750743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).