1-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one

C19H25N3O3 — CID 95583677

IUPAC1-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
SMILESCC(C)c1noc(CCC(=O)N2C[C@@H](C)O[C@@H](c3ccccc3)C2)n1
InChIInChI=1S/C19H25N3O3/c1-13(2)19-20-17(25-21-19)9-10-18(23)22-11-14(3)24-16(12-22)15-7-5-4-6-8-15/h4-8,13-14,16H,9-12H2,1-3H3/t14-,16-/m1/s1
InChIKeyDNRWQSNQCBTQQH-GDBMZVCRSA-N
MW343.43 g/mol
LogP3.11
Rot. Bonds5

About 1-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one

1-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one (PubChem CID 95583677) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one.

Molecular Properties

Compound Name1-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
PubChem CID95583677
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name1-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
SMILESCC(C)c1noc(CCC(=O)N2C[C@@H](C)O[C@@H](c3ccccc3)C2)n1
InChIInChI=1S/C19H25N3O3/c1-13(2)19-20-17(25-21-19)9-10-18(23)22-11-14(3)24-16(12-22)15-7-5-4-6-8-15/h4-8,13-14,16H,9-12H2,1-3H3/t14-,16-/m1/s1
InChIKeyDNRWQSNQCBTQQH-GDBMZVCRSA-N
XLogP3.11
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]propan-1-one
CID 95590971
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(2-methyl-6-phenylmorpholin-4-yl)propan-1-one
CID 146086488
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-1-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]propan-1-one
CID 95156039
1-(2-methyl-6-phenylmorpholin-4-yl)-4-(2-phenylethoxy)butan-1-one
CID 47914931
1-[2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 110112507
3-(3-methoxyphenyl)-1-(2-methyl-6-phenylmorpholin-4-yl)propan-1-one
CID 47914001
2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 119196029
1-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 95583708
N-[2-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethyl]benzamide
CID 94782920
1-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-4-(pyrimidin-2-ylamino)butan-1-one
CID 95583655
1-(2-methyl-6-phenylmorpholin-4-yl)-2-phenoxyethanone
CID 47914743
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 27661448

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one?
The IUPAC name of 1-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one (CID 95583677) is 1-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one.
What is the SMILES notation for 1-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one?
The canonical SMILES for 1-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one is CC(C)c1noc(CCC(=O)N2C[C@@H](C)O[C@@H](c3ccccc3)C2)n1.
What is the InChIKey of 1-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one?
The InChIKey is DNRWQSNQCBTQQH-GDBMZVCRSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-13(2)19-20-17(25-21-19)9-10-18(23)22-11-14(3)24-16(12-22)15-7-5-4-6-8-15/h4-8,13-14,16H,9-12H2,1-3H3/t14-,16-/m1/s1.
What are the key properties of 1-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one?
1-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one has a molecular weight of 343.43 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one is sourced from PubChem (CID 95583677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).