5,5-dimethyl-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]-6,7-dihydro-4H-1,2-benzoxazole-3-carboxamide

C19H23N3O2 — CID 136586931

IUPAC5,5-dimethyl-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]-6,7-dihydro-4H-1,2-benzoxazole-3-carboxamide
SMILESCC1(C)CCc2onc(C(=O)N[C@H]3CCCc4cccnc43)c2C1
InChIInChI=1S/C19H23N3O2/c1-19(2)9-8-15-13(11-19)17(22-24-15)18(23)21-14-7-3-5-12-6-4-10-20-16(12)14/h4,6,10,14H,3,5,7-9,11H2,1-2H3,(H,21,23)/t14-/m0/s1
InChIKeyRCQWLXASIACIPI-AWEZNQCLSA-N
MW325.41 g/mol
LogP3.39
Rot. Bonds2

About 5,5-dimethyl-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]-6,7-dihydro-4H-1,2-benzoxazole-3-carboxamide

5,5-dimethyl-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]-6,7-dihydro-4H-1,2-benzoxazole-3-carboxamide (PubChem CID 136586931) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 5,5-dimethyl-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]-6,7-dihydro-4H-1,2-benzoxazole-3-carboxamide.

Molecular Properties

Compound Name5,5-dimethyl-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]-6,7-dihydro-4H-1,2-benzoxazole-3-carboxamide
PubChem CID136586931
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name5,5-dimethyl-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]-6,7-dihydro-4H-1,2-benzoxazole-3-carboxamide
SMILESCC1(C)CCc2onc(C(=O)N[C@H]3CCCc4cccnc43)c2C1
InChIInChI=1S/C19H23N3O2/c1-19(2)9-8-15-13(11-19)17(22-24-15)18(23)21-14-7-3-5-12-6-4-10-20-16(12)14/h4,6,10,14H,3,5,7-9,11H2,1-2H3,(H,21,23)/t14-/m0/s1
InChIKeyRCQWLXASIACIPI-AWEZNQCLSA-N
XLogP3.39
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5,5-dimethyl-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]-6,7-dihydro-4H-1,2-benzoxazole-3-carboxamide with MolForge

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Related Compounds

N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]propanamide
CID 165447452
3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-(5,6,7,8-tetrahydroquinolin-8-yl)pyrazine-2-carboxamide
CID 121351019
(8S)-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 58985331
N-(2,3-dihydro-1H-inden-1-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 59159975
6-amino-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 166314331
N-(2-methylprop-2-enyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 114615760
2-(5,6,7,8-tetrahydroquinolin-8-ylamino)oxyacetamide
CID 112672973
N-fluoro-5,6,7,8-tetrahydroquinolin-8-amine
CID 145471491
N-(cyclopentylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079348
(1-methoxycyclobutyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 116707061
N-[[4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 71026047
2-methyl-1-(5,6,7,8-tetrahydroquinolin-8-ylamino)propan-2-ol
CID 79078513

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]-6,7-dihydro-4H-1,2-benzoxazole-3-carboxamide?
The IUPAC name of 5,5-dimethyl-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]-6,7-dihydro-4H-1,2-benzoxazole-3-carboxamide (CID 136586931) is 5,5-dimethyl-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]-6,7-dihydro-4H-1,2-benzoxazole-3-carboxamide.
What is the SMILES notation for 5,5-dimethyl-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]-6,7-dihydro-4H-1,2-benzoxazole-3-carboxamide?
The canonical SMILES for 5,5-dimethyl-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]-6,7-dihydro-4H-1,2-benzoxazole-3-carboxamide is CC1(C)CCc2onc(C(=O)N[C@H]3CCCc4cccnc43)c2C1.
What is the InChIKey of 5,5-dimethyl-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]-6,7-dihydro-4H-1,2-benzoxazole-3-carboxamide?
The InChIKey is RCQWLXASIACIPI-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-19(2)9-8-15-13(11-19)17(22-24-15)18(23)21-14-7-3-5-12-6-4-10-20-16(12)14/h4,6,10,14H,3,5,7-9,11H2,1-2H3,(H,21,23)/t14-/m0/s1.
What are the key properties of 5,5-dimethyl-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]-6,7-dihydro-4H-1,2-benzoxazole-3-carboxamide?
5,5-dimethyl-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]-6,7-dihydro-4H-1,2-benzoxazole-3-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]-6,7-dihydro-4H-1,2-benzoxazole-3-carboxamide is sourced from PubChem (CID 136586931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).