(2R)-2-(2-methyl-4-morpholin-4-ylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C18H24N4O3 — CID 34499731

IUPAC(2R)-2-(2-methyl-4-morpholin-4-ylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)[C@@H](C)Nc2ccc(N3CCOCC3)cc2C)no1
InChIInChI=1S/C18H24N4O3/c1-12-10-15(22-6-8-24-9-7-22)4-5-16(12)19-14(3)18(23)20-17-11-13(2)25-21-17/h4-5,10-11,14,19H,6-9H2,1-3H3,(H,20,21,23)/t14-/m1/s1
InChIKeyPMKGGJJNCRYKGR-CQSZACIVSA-N
MW344.42 g/mol
LogP2.57
Rot. Bonds5

About (2R)-2-(2-methyl-4-morpholin-4-ylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide

(2R)-2-(2-methyl-4-morpholin-4-ylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 34499731) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is (2R)-2-(2-methyl-4-morpholin-4-ylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-(2-methyl-4-morpholin-4-ylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID34499731
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name(2R)-2-(2-methyl-4-morpholin-4-ylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)[C@@H](C)Nc2ccc(N3CCOCC3)cc2C)no1
InChIInChI=1S/C18H24N4O3/c1-12-10-15(22-6-8-24-9-7-22)4-5-16(12)19-14(3)18(23)20-17-11-13(2)25-21-17/h4-5,10-11,14,19H,6-9H2,1-3H3,(H,20,21,23)/t14-/m1/s1
InChIKeyPMKGGJJNCRYKGR-CQSZACIVSA-N
XLogP2.57
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(2-methyl-4-morpholin-4-ylanilino)-1-morpholin-4-ylpropan-1-one
CID 94114537
(2R)-N-(2-chloro-3-pyridinyl)-2-(2-methyl-4-morpholin-4-ylanilino)propanamide
CID 94114535
ethyl (2S)-2-(2-methyl-4-morpholin-4-ylanilino)propanoate
CID 141056523
2-(2-methyl-4-morpholin-4-ylanilino)-N-(3-sulfamoylphenyl)propanamide
CID 55629768
N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]morpholine-4-carboxamide
CID 112507096
(2R)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 9276911
1-tert-butyl-3-(2-methyl-4-morpholin-4-ylphenyl)urea
CID 78896475
N-(2-methyl-4-morpholin-4-ylphenyl)thiophene-3-carboxamide
CID 39267225
2-[4-(4-ethylpiperazin-1-yl)-2-methylanilino]-N-naphthalen-1-ylpropanamide
CID 55572493
N'-(5-methyl-1,2-oxazol-3-yl)-N-(2-morpholin-4-ylphenyl)propanediamide
CID 108956543
3-(2-hydroxyphenyl)-N-(2-methyl-4-morpholin-4-ylphenyl)propanamide
CID 46415307
3-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 55481956

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methyl-4-morpholin-4-ylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of (2R)-2-(2-methyl-4-morpholin-4-ylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 34499731) is (2R)-2-(2-methyl-4-morpholin-4-ylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for (2R)-2-(2-methyl-4-morpholin-4-ylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for (2R)-2-(2-methyl-4-morpholin-4-ylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide is Cc1cc(NC(=O)[C@@H](C)Nc2ccc(N3CCOCC3)cc2C)no1.
What is the InChIKey of (2R)-2-(2-methyl-4-morpholin-4-ylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is PMKGGJJNCRYKGR-CQSZACIVSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-12-10-15(22-6-8-24-9-7-22)4-5-16(12)19-14(3)18(23)20-17-11-13(2)25-21-17/h4-5,10-11,14,19H,6-9H2,1-3H3,(H,20,21,23)/t14-/m1/s1.
What are the key properties of (2R)-2-(2-methyl-4-morpholin-4-ylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
(2R)-2-(2-methyl-4-morpholin-4-ylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 344.42 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-methyl-4-morpholin-4-ylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 34499731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).