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

C18H21N3O2 — CID 95199858

IUPAC(5S)-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-/m0/s1
InChIKeyCKQPOFBJTJNJNP-KRWDZBQOSA-N
MW311.38 g/mol
LogP2.99
Rot. Bonds4

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

(5S)-N-methyl-3-propan-2-yl-N-(quinolin-6-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 95199858) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is (5S)-N-methyl-3-propan-2-yl-N-(quinolin-6-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5S)-N-methyl-3-propan-2-yl-N-(quinolin-6-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID95199858
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name(5S)-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-/m0/s1
InChIKeyCKQPOFBJTJNJNP-KRWDZBQOSA-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

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Frequently Asked Questions

What is the IUPAC name of (5S)-N-methyl-3-propan-2-yl-N-(quinolin-6-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of (5S)-N-methyl-3-propan-2-yl-N-(quinolin-6-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 95199858) is (5S)-N-methyl-3-propan-2-yl-N-(quinolin-6-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5S)-N-methyl-3-propan-2-yl-N-(quinolin-6-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5S)-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 (5S)-N-methyl-3-propan-2-yl-N-(quinolin-6-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is CKQPOFBJTJNJNP-KRWDZBQOSA-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-/m0/s1.
What are the key properties of (5S)-N-methyl-3-propan-2-yl-N-(quinolin-6-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
(5S)-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 (5S)-N-methyl-3-propan-2-yl-N-(quinolin-6-ylmethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 95199858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).