5-methoxy-1-methyl-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]indole-2-carboxamide

C17H20N4O3 — CID 97112460

IUPAC5-methoxy-1-methyl-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]indole-2-carboxamide
SMILESCC[C@H](NC(=O)c1cc2cc(OC)ccc2n1C)c1nc(C)no1
InChIInChI=1S/C17H20N4O3/c1-5-13(17-18-10(2)20-24-17)19-16(22)15-9-11-8-12(23-4)6-7-14(11)21(15)3/h6-9,13H,5H2,1-4H3,(H,19,22)/t13-/m0/s1
InChIKeyJDTYCHNIKIMSBP-ZDUSSCGKSA-N
MW328.37 g/mol
LogP2.76
Rot. Bonds5

About 5-methoxy-1-methyl-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]indole-2-carboxamide

5-methoxy-1-methyl-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]indole-2-carboxamide (PubChem CID 97112460) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 5-methoxy-1-methyl-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]indole-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-1-methyl-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]indole-2-carboxamide
PubChem CID97112460
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name5-methoxy-1-methyl-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]indole-2-carboxamide
SMILESCC[C@H](NC(=O)c1cc2cc(OC)ccc2n1C)c1nc(C)no1
InChIInChI=1S/C17H20N4O3/c1-5-13(17-18-10(2)20-24-17)19-16(22)15-9-11-8-12(23-4)6-7-14(11)21(15)3/h6-9,13H,5H2,1-4H3,(H,19,22)/t13-/m0/s1
InChIKeyJDTYCHNIKIMSBP-ZDUSSCGKSA-N
XLogP2.76
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-methoxy-1-methyl-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]indole-2-carboxamide with MolForge

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Related Compounds

N-(1-aminopropan-2-yl)-5-methoxy-1-methylindole-2-carboxamide
CID 110833437
N-[(S)-cyclopropyl-(6-methyl-2-pyridinyl)methyl]-5-methoxy-1-methylindole-2-carboxamide
CID 99946822
5-methoxy-1-methyl-N-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]indole-2-carboxamide
CID 97130600
(2S)-2-[(5-methoxy-1-methylindole-2-carbonyl)amino]-3-methylbutanoate
CID 7070170
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-5-methoxy-1-methylindole-2-carboxamide
CID 91788354
2-[[2-[(5-methoxy-1-methylindole-2-carbonyl)amino]-4-methylpentanoyl]amino]acetic acid
CID 4837910
4-(4-hydroxy-3-methoxyphenyl)-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
CID 126448858
2-[2-[(5-methoxy-1-methylindole-2-carbonyl)amino]propanoylamino]-3-phenylpropanoic acid
CID 4868507
5-methoxy-N-[(1R)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methylindole-2-carboxamide
CID 97122642
N-[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-5-methoxy-1-methylindole-2-carboxamide
CID 42537191
(2S)-2-(6-methoxynaphthalen-2-yl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 94806001
N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-methoxy-1-methylindole-2-carboxamide
CID 70735811

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-methyl-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]indole-2-carboxamide?
The IUPAC name of 5-methoxy-1-methyl-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]indole-2-carboxamide (CID 97112460) is 5-methoxy-1-methyl-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]indole-2-carboxamide.
What is the SMILES notation for 5-methoxy-1-methyl-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]indole-2-carboxamide?
The canonical SMILES for 5-methoxy-1-methyl-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]indole-2-carboxamide is CC[C@H](NC(=O)c1cc2cc(OC)ccc2n1C)c1nc(C)no1.
What is the InChIKey of 5-methoxy-1-methyl-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]indole-2-carboxamide?
The InChIKey is JDTYCHNIKIMSBP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-5-13(17-18-10(2)20-24-17)19-16(22)15-9-11-8-12(23-4)6-7-14(11)21(15)3/h6-9,13H,5H2,1-4H3,(H,19,22)/t13-/m0/s1.
What are the key properties of 5-methoxy-1-methyl-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]indole-2-carboxamide?
5-methoxy-1-methyl-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]indole-2-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-methyl-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]indole-2-carboxamide is sourced from PubChem (CID 97112460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).