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

C16H24N6O3 — CID 96512379

IUPACN-(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
SMILESCc1cc(NC(=O)CCN2CCO[C@H](c3nc(C(C)C)n[nH]3)C2)no1
InChIInChI=1S/C16H24N6O3/c1-10(2)15-18-16(20-19-15)12-9-22(6-7-24-12)5-4-14(23)17-13-8-11(3)25-21-13/h8,10,12H,4-7,9H2,1-3H3,(H,17,21,23)(H,18,19,20)/t12-/m0/s1
InChIKeyAFRCFJGITAXODD-LBPRGKRZSA-N
MW348.41 g/mol
LogP1.63
Rot. Bonds6

About 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

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 (PubChem CID 96512379) 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)-3-[(2S)-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)-3-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]propanamide
PubChem CID96512379
Molecular FormulaC16H24N6O3
Molecular Weight348.41 g/mol
Exact Mass348.19
IUPAC NameN-(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
SMILESCc1cc(NC(=O)CCN2CCO[C@H](c3nc(C(C)C)n[nH]3)C2)no1
InChIInChI=1S/C16H24N6O3/c1-10(2)15-18-16(20-19-15)12-9-22(6-7-24-12)5-4-14(23)17-13-8-11(3)25-21-13/h8,10,12H,4-7,9H2,1-3H3,(H,17,21,23)(H,18,19,20)/t12-/m0/s1
InChIKeyAFRCFJGITAXODD-LBPRGKRZSA-N
XLogP1.63
TPSA109.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(NC(=O)CCN2CCO[C@H](c3nc(C(C)C)n[nH]3)C2)no1.
What is the InChIKey of 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?
The InChIKey is AFRCFJGITAXODD-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H24N6O3/c1-10(2)15-18-16(20-19-15)12-9-22(6-7-24-12)5-4-14(23)17-13-8-11(3)25-21-13/h8,10,12H,4-7,9H2,1-3H3,(H,17,21,23)(H,18,19,20)/t12-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 348.41 g/mol, XLogP of 1.63, 6 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)-3-[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]propanamide is sourced from PubChem (CID 96512379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).