(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(2R)-2-(4-methylpentyl)morpholin-4-yl]methanone

C21H29N3O3 — CID 95556606

IUPAC(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(2R)-2-(4-methylpentyl)morpholin-4-yl]methanone
SMILESCc1noc2nc(C3CC3)cc(C(=O)N3CCO[C@H](CCCC(C)C)C3)c12
InChIInChI=1S/C21H29N3O3/c1-13(2)5-4-6-16-12-24(9-10-26-16)21(25)17-11-18(15-7-8-15)22-20-19(17)14(3)23-27-20/h11,13,15-16H,4-10,12H2,1-3H3/t16-/m1/s1
InChIKeySQDVFXSPLCESAI-MRXNPFEDSA-N
MW371.48 g/mol
LogP4.08
Rot. Bonds6

About (6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(2R)-2-(4-methylpentyl)morpholin-4-yl]methanone

(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(2R)-2-(4-methylpentyl)morpholin-4-yl]methanone (PubChem CID 95556606) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is (6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(2R)-2-(4-methylpentyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(2R)-2-(4-methylpentyl)morpholin-4-yl]methanone
PubChem CID95556606
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(2R)-2-(4-methylpentyl)morpholin-4-yl]methanone
SMILESCc1noc2nc(C3CC3)cc(C(=O)N3CCO[C@H](CCCC(C)C)C3)c12
InChIInChI=1S/C21H29N3O3/c1-13(2)5-4-6-16-12-24(9-10-26-16)21(25)17-11-18(15-7-8-15)22-20-19(17)14(3)23-27-20/h11,13,15-16H,4-10,12H2,1-3H3/t16-/m1/s1
InChIKeySQDVFXSPLCESAI-MRXNPFEDSA-N
XLogP4.08
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 40875796
[4-(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-naphthalen-1-ylmethanone
CID 43055459
(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95337490
[4-(3-aminopropoxy)piperidin-1-yl]-(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone;hydrochloride
CID 119664479
(2,5-dimethylphenyl)-[(2R)-2-(4-methylpentyl)morpholin-4-yl]methanone
CID 95556503
1-[4-(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 87030572
[(2S)-2-(4-methylpentyl)morpholin-4-yl]-(5-methyl-1-propylpyrazol-4-yl)methanone
CID 25373845
(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(3R)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95222680
(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(2R)-2,4-dimethylpiperazin-1-yl]methanone
CID 97067282
2H-benzotriazol-5-yl-[(2R)-2-(4-methylpentyl)morpholin-4-yl]methanone
CID 42519260
3-[(2S)-2-(4-methylpentyl)morpholine-4-carbonyl]-1H-quinolin-2-one
CID 95554707
[6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]-(2-methylmorpholin-4-yl)methanone
CID 51302466

Frequently Asked Questions

What is the IUPAC name of (6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(2R)-2-(4-methylpentyl)morpholin-4-yl]methanone?
The IUPAC name of (6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(2R)-2-(4-methylpentyl)morpholin-4-yl]methanone (CID 95556606) is (6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(2R)-2-(4-methylpentyl)morpholin-4-yl]methanone.
What is the SMILES notation for (6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(2R)-2-(4-methylpentyl)morpholin-4-yl]methanone?
The canonical SMILES for (6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(2R)-2-(4-methylpentyl)morpholin-4-yl]methanone is Cc1noc2nc(C3CC3)cc(C(=O)N3CCO[C@H](CCCC(C)C)C3)c12.
What is the InChIKey of (6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(2R)-2-(4-methylpentyl)morpholin-4-yl]methanone?
The InChIKey is SQDVFXSPLCESAI-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-13(2)5-4-6-16-12-24(9-10-26-16)21(25)17-11-18(15-7-8-15)22-20-19(17)14(3)23-27-20/h11,13,15-16H,4-10,12H2,1-3H3/t16-/m1/s1.
What are the key properties of (6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(2R)-2-(4-methylpentyl)morpholin-4-yl]methanone?
(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(2R)-2-(4-methylpentyl)morpholin-4-yl]methanone has a molecular weight of 371.48 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(2R)-2-(4-methylpentyl)morpholin-4-yl]methanone is sourced from PubChem (CID 95556606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).