(6S)-N-(cyclopropylmethyl)-6-(4-methoxyphenyl)-N-propyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide

C20H26N4O3 — CID 125129091

IUPAC(6S)-N-(cyclopropylmethyl)-6-(4-methoxyphenyl)-N-propyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
SMILESCCCN(CC1CC1)C(=O)c1nnn2c1CO[C@@H](c1ccc(OC)cc1)C2
InChIInChI=1S/C20H26N4O3/c1-3-10-23(11-14-4-5-14)20(25)19-17-13-27-18(12-24(17)22-21-19)15-6-8-16(26-2)9-7-15/h6-9,14,18H,3-5,10-13H2,1-2H3/t18-/m1/s1
InChIKeyZEOWXFHLVFSHGH-GOSISDBHSA-N
MW370.45 g/mol
LogP2.82
Rot. Bonds7

About (6S)-N-(cyclopropylmethyl)-6-(4-methoxyphenyl)-N-propyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide

(6S)-N-(cyclopropylmethyl)-6-(4-methoxyphenyl)-N-propyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide (PubChem CID 125129091) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is (6S)-N-(cyclopropylmethyl)-6-(4-methoxyphenyl)-N-propyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide.

Molecular Properties

Compound Name(6S)-N-(cyclopropylmethyl)-6-(4-methoxyphenyl)-N-propyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
PubChem CID125129091
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name(6S)-N-(cyclopropylmethyl)-6-(4-methoxyphenyl)-N-propyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
SMILESCCCN(CC1CC1)C(=O)c1nnn2c1CO[C@@H](c1ccc(OC)cc1)C2
InChIInChI=1S/C20H26N4O3/c1-3-10-23(11-14-4-5-14)20(25)19-17-13-27-18(12-24(17)22-21-19)15-6-8-16(26-2)9-7-15/h6-9,14,18H,3-5,10-13H2,1-2H3/t18-/m1/s1
InChIKeyZEOWXFHLVFSHGH-GOSISDBHSA-N
XLogP2.82
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (6S)-N-(cyclopropylmethyl)-6-(4-methoxyphenyl)-N-propyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6S)-6-(4-methoxyphenyl)-N-prop-2-enyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
CID 125127105
N-benzyl-6-(4-methoxyphenyl)-N-methyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
CID 91890753
6-(4-methoxyphenyl)-N-(2-methylpropyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
CID 91893815
N-(cyclopropylmethyl)-1-[6-(4-methoxyphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbonyl]piperidine-4-carboxamide
CID 87053719
[(6R)-6-(4-methoxyphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 125127323
6-(4-methoxyphenyl)-N-(1-methylpiperidin-4-yl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
CID 91893831
1-[4-[(6S)-6-(4-methoxyphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carbonyl]piperazin-1-yl]ethanone
CID 125127758
6-(4-methoxyphenyl)-N-(2-piperidin-1-ylethyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
CID 91893778
6-(4-methoxyphenyl)-N-(2-pyridin-4-ylethyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
CID 91893836
(6S)-6-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
CID 125126839
(6R)-N-(4-bromophenyl)-6-(4-methoxyphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide
CID 125127284
(4-cyclohexylpiperazin-1-yl)-[(6R)-6-(4-methoxyphenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-3-yl]methanone
CID 125127049

Frequently Asked Questions

What is the IUPAC name of (6S)-N-(cyclopropylmethyl)-6-(4-methoxyphenyl)-N-propyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide?
The IUPAC name of (6S)-N-(cyclopropylmethyl)-6-(4-methoxyphenyl)-N-propyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide (CID 125129091) is (6S)-N-(cyclopropylmethyl)-6-(4-methoxyphenyl)-N-propyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide.
What is the SMILES notation for (6S)-N-(cyclopropylmethyl)-6-(4-methoxyphenyl)-N-propyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide?
The canonical SMILES for (6S)-N-(cyclopropylmethyl)-6-(4-methoxyphenyl)-N-propyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide is CCCN(CC1CC1)C(=O)c1nnn2c1CO[C@@H](c1ccc(OC)cc1)C2.
What is the InChIKey of (6S)-N-(cyclopropylmethyl)-6-(4-methoxyphenyl)-N-propyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide?
The InChIKey is ZEOWXFHLVFSHGH-GOSISDBHSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-3-10-23(11-14-4-5-14)20(25)19-17-13-27-18(12-24(17)22-21-19)15-6-8-16(26-2)9-7-15/h6-9,14,18H,3-5,10-13H2,1-2H3/t18-/m1/s1.
What are the key properties of (6S)-N-(cyclopropylmethyl)-6-(4-methoxyphenyl)-N-propyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide?
(6S)-N-(cyclopropylmethyl)-6-(4-methoxyphenyl)-N-propyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 2.82, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-(cyclopropylmethyl)-6-(4-methoxyphenyl)-N-propyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazine-3-carboxamide is sourced from PubChem (CID 125129091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).