(5R)-N-methyl-3-propan-2-yl-N-(quinolin-6-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C18H21N3O2 — CID 95199859

IUPAC(5R)-N-methyl-3-propan-2-yl-N-(quinolin-6-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCC(C)C1=NO[C@@H](C(=O)N(C)Cc2ccc3ncccc3c2)C1
InChIInChI=1S/C18H21N3O2/c1-12(2)16-10-17(23-20-16)18(22)21(3)11-13-6-7-15-14(9-13)5-4-8-19-15/h4-9,12,17H,10-11H2,1-3H3/t17-/m1/s1
InChIKeyCKQPOFBJTJNJNP-QGZVFWFLSA-N
MW311.38 g/mol
LogP2.99
Rot. Bonds4

About (5R)-N-methyl-3-propan-2-yl-N-(quinolin-6-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

(5R)-N-methyl-3-propan-2-yl-N-(quinolin-6-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 95199859) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is (5R)-N-methyl-3-propan-2-yl-N-(quinolin-6-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5R)-N-methyl-3-propan-2-yl-N-(quinolin-6-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID95199859
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name(5R)-N-methyl-3-propan-2-yl-N-(quinolin-6-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCC(C)C1=NO[C@@H](C(=O)N(C)Cc2ccc3ncccc3c2)C1
InChIInChI=1S/C18H21N3O2/c1-12(2)16-10-17(23-20-16)18(22)21(3)11-13-6-7-15-14(9-13)5-4-8-19-15/h4-9,12,17H,10-11H2,1-3H3/t17-/m1/s1
InChIKeyCKQPOFBJTJNJNP-QGZVFWFLSA-N
XLogP2.99
TPSA54.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5R)-N-methyl-3-propan-2-yl-N-(quinolin-6-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide with MolForge

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Related Compounds

(5S)-N-methyl-3-propan-2-yl-N-(quinolin-6-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 95199858
(3S)-1-[2-(dimethylamino)ethyl]-N-methyl-5-oxo-N-(quinolin-6-ylmethyl)pyrrolidine-3-carboxamide
CID 97194025
(4S)-N-methyl-4-pyrrolidin-1-yl-N-(quinolin-6-ylmethyl)pentanamide
CID 126446117
N,4-dimethyl-N-(quinolin-6-ylmethyl)benzamide
CID 121451784
2-methyl-3-[methyl(quinolin-6-ylmethyl)amino]propanoic acid
CID 55007348
1-[methyl(quinolin-6-ylmethyl)amino]propan-2-ol
CID 62335047
2-(3-chloro-4-hydroxyphenyl)-N-methyl-N-(quinolin-6-ylmethyl)acetamide
CID 86286582
N-methyl-2-methylsulfanyl-N-(quinolin-6-ylmethyl)pyrimidine-5-carboxamide
CID 90652812
2-chloro-N-methyl-N-(quinolin-6-ylmethyl)propan-1-amine
CID 63387914
1-chloro-N-methyl-N-(quinolin-6-ylmethyl)propan-2-amine
CID 104555130
N-methyl-N-(quinolin-6-ylmethyl)piperidin-4-amine
CID 43607729
N,N-dimethyl-2-(quinolin-6-ylmethylamino)propanamide
CID 61464425

Frequently Asked Questions

What is the IUPAC name of (5R)-N-methyl-3-propan-2-yl-N-(quinolin-6-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of (5R)-N-methyl-3-propan-2-yl-N-(quinolin-6-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 95199859) is (5R)-N-methyl-3-propan-2-yl-N-(quinolin-6-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5R)-N-methyl-3-propan-2-yl-N-(quinolin-6-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5R)-N-methyl-3-propan-2-yl-N-(quinolin-6-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is CC(C)C1=NO[C@@H](C(=O)N(C)Cc2ccc3ncccc3c2)C1.
What is the InChIKey of (5R)-N-methyl-3-propan-2-yl-N-(quinolin-6-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is CKQPOFBJTJNJNP-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-12(2)16-10-17(23-20-16)18(22)21(3)11-13-6-7-15-14(9-13)5-4-8-19-15/h4-9,12,17H,10-11H2,1-3H3/t17-/m1/s1.
What are the key properties of (5R)-N-methyl-3-propan-2-yl-N-(quinolin-6-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
(5R)-N-methyl-3-propan-2-yl-N-(quinolin-6-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 311.38 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-methyl-3-propan-2-yl-N-(quinolin-6-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 95199859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).