N-(5-methyl-1,2-oxazol-3-yl)-2-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]propanamide

C16H24N6O3 — CID 71872317

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]propanamide
SMILESCc1cc(NC(=O)C(C)N2CCOC(c3nc(C(C)C)n[nH]3)C2)no1
InChIInChI=1S/C16H24N6O3/c1-9(2)14-18-15(20-19-14)12-8-22(5-6-24-12)11(4)16(23)17-13-7-10(3)25-21-13/h7,9,11-12H,5-6,8H2,1-4H3,(H,17,21,23)(H,18,19,20)
InChIKeyFCPWMHGJISHJKY-UHFFFAOYSA-N
MW348.41 g/mol
LogP1.63
Rot. Bonds5

About N-(5-methyl-1,2-oxazol-3-yl)-2-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]propanamide

N-(5-methyl-1,2-oxazol-3-yl)-2-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]propanamide (PubChem CID 71872317) has the molecular formula C16H24N6O3 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]propanamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]propanamide
PubChem CID71872317
Molecular FormulaC16H24N6O3
Molecular Weight348.41 g/mol
Exact Mass348.19
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]propanamide
SMILESCc1cc(NC(=O)C(C)N2CCOC(c3nc(C(C)C)n[nH]3)C2)no1
InChIInChI=1S/C16H24N6O3/c1-9(2)14-18-15(20-19-14)12-8-22(5-6-24-12)11(4)16(23)17-13-7-10(3)25-21-13/h7,9,11-12H,5-6,8H2,1-4H3,(H,17,21,23)(H,18,19,20)
InChIKeyFCPWMHGJISHJKY-UHFFFAOYSA-N
XLogP1.63
TPSA109.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-3-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]propanamide
CID 96512379
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propanamide
CID 97004448
2-(4-acetylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 51242524
(2,5-dimethylthiophen-3-yl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
CID 71928746
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(2S)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]propanamide
CID 100858546
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]propanamide
CID 96512596
(2R)-2-[(3S)-3-anilinopyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 97004864
2-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]-N-pyridin-4-ylacetamide
CID 96510622
4-[1-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethyl]benzonitrile
CID 71928068
4-[(1S)-1-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethyl]benzonitrile
CID 96512401
(2-methyl-1H-imidazol-5-yl)-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
CID 96512691
2-[(2R)-oxolan-2-yl]-1-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethanone
CID 96511705

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]propanamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]propanamide (CID 71872317) is N-(5-methyl-1,2-oxazol-3-yl)-2-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]propanamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]propanamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]propanamide is Cc1cc(NC(=O)C(C)N2CCOC(c3nc(C(C)C)n[nH]3)C2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]propanamide?
The InChIKey is FCPWMHGJISHJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O3/c1-9(2)14-18-15(20-19-14)12-8-22(5-6-24-12)11(4)16(23)17-13-7-10(3)25-21-13/h7,9,11-12H,5-6,8H2,1-4H3,(H,17,21,23)(H,18,19,20).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]propanamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]propanamide has a molecular weight of 348.41 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]propanamide is sourced from PubChem (CID 71872317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).