(3R)-N-(2-methyl-1,3-benzoxazol-6-yl)-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide

C15H16F3N3O3 — CID 124851972

IUPAC(3R)-N-(2-methyl-1,3-benzoxazol-6-yl)-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide
SMILESCc1nc2ccc(NC(=O)[C@H]3COCCN3CC(F)(F)F)cc2o1
InChIInChI=1S/C15H16F3N3O3/c1-9-19-11-3-2-10(6-13(11)24-9)20-14(22)12-7-23-5-4-21(12)8-15(16,17)18/h2-3,6,12H,4-5,7-8H2,1H3,(H,20,22)/t12-/m1/s1
InChIKeyTZJGVOQSBJHKPE-GFCCVEGCSA-N
MW343.31 g/mol
LogP2.34
Rot. Bonds3

About (3R)-N-(2-methyl-1,3-benzoxazol-6-yl)-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide

(3R)-N-(2-methyl-1,3-benzoxazol-6-yl)-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide (PubChem CID 124851972) has the molecular formula C15H16F3N3O3 and a molecular weight of 343.31 g/mol. Its IUPAC name is (3R)-N-(2-methyl-1,3-benzoxazol-6-yl)-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2-methyl-1,3-benzoxazol-6-yl)-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide
PubChem CID124851972
Molecular FormulaC15H16F3N3O3
Molecular Weight343.31 g/mol
Exact Mass343.11
IUPAC Name(3R)-N-(2-methyl-1,3-benzoxazol-6-yl)-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide
SMILESCc1nc2ccc(NC(=O)[C@H]3COCCN3CC(F)(F)F)cc2o1
InChIInChI=1S/C15H16F3N3O3/c1-9-19-11-3-2-10(6-13(11)24-9)20-14(22)12-7-23-5-4-21(12)8-15(16,17)18/h2-3,6,12H,4-5,7-8H2,1H3,(H,20,22)/t12-/m1/s1
InChIKeyTZJGVOQSBJHKPE-GFCCVEGCSA-N
XLogP2.34
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-N-(2-methyl-1,3-benzoxazol-6-yl)-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide with MolForge

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Related Compounds

N-(4-methyl-2-pyridinyl)-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide
CID 126810442
N-(2-methyl-1,3-benzoxazol-6-yl)morpholine-3-carboxamide
CID 119842871
3,3,3-trifluoro-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide
CID 86924240
N-pyridin-2-yl-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide
CID 126801081
(3R)-N-(2-anilino-2-oxoethyl)-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide
CID 124844817
2-[(2-methyl-1,3-benzoxazol-6-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120974727
N-(2-methyl-1,3-benzoxazol-6-yl)-1-methylsulfonylpiperidine-4-carboxamide
CID 110729021
N-(2-methyl-1,3-benzoxazol-6-yl)carbamoyl bromide
CID 115193310
2,2-dimethyl-3-[(2-methyl-1,3-benzoxazol-6-yl)amino]-3-oxopropanoic acid
CID 115163948
N-(2-methyl-1,3-benzoxazol-6-yl)pyrrolidine-2-carboxamide
CID 83627392
(2R,3S)-2-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)morpholine-3-carboxamide
CID 120938679
(3S)-N-[(2S)-2-hydroxy-2-phenylethyl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide
CID 124842240

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-methyl-1,3-benzoxazol-6-yl)-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide?
The IUPAC name of (3R)-N-(2-methyl-1,3-benzoxazol-6-yl)-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide (CID 124851972) is (3R)-N-(2-methyl-1,3-benzoxazol-6-yl)-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide.
What is the SMILES notation for (3R)-N-(2-methyl-1,3-benzoxazol-6-yl)-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide?
The canonical SMILES for (3R)-N-(2-methyl-1,3-benzoxazol-6-yl)-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide is Cc1nc2ccc(NC(=O)[C@H]3COCCN3CC(F)(F)F)cc2o1.
What is the InChIKey of (3R)-N-(2-methyl-1,3-benzoxazol-6-yl)-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide?
The InChIKey is TZJGVOQSBJHKPE-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H16F3N3O3/c1-9-19-11-3-2-10(6-13(11)24-9)20-14(22)12-7-23-5-4-21(12)8-15(16,17)18/h2-3,6,12H,4-5,7-8H2,1H3,(H,20,22)/t12-/m1/s1.
What are the key properties of (3R)-N-(2-methyl-1,3-benzoxazol-6-yl)-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide?
(3R)-N-(2-methyl-1,3-benzoxazol-6-yl)-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide has a molecular weight of 343.31 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-methyl-1,3-benzoxazol-6-yl)-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide is sourced from PubChem (CID 124851972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).