N-(5-methyl-1,2-oxazol-3-yl)-3-phenyl-2-(propylcarbamoylamino)propanamide

C17H22N4O3 — CID 110673292

IUPACN-(5-methyl-1,2-oxazol-3-yl)-3-phenyl-2-(propylcarbamoylamino)propanamide
SMILESCCCNC(=O)NC(Cc1ccccc1)C(=O)Nc1cc(C)on1
InChIInChI=1S/C17H22N4O3/c1-3-9-18-17(23)19-14(11-13-7-5-4-6-8-13)16(22)20-15-10-12(2)24-21-15/h4-8,10,14H,3,9,11H2,1-2H3,(H2,18,19,23)(H,20,21,22)
InChIKeyBTTJZUDWIZKOPL-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.24
Rot. Bonds7

About N-(5-methyl-1,2-oxazol-3-yl)-3-phenyl-2-(propylcarbamoylamino)propanamide

N-(5-methyl-1,2-oxazol-3-yl)-3-phenyl-2-(propylcarbamoylamino)propanamide (PubChem CID 110673292) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-3-phenyl-2-(propylcarbamoylamino)propanamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-3-phenyl-2-(propylcarbamoylamino)propanamide
PubChem CID110673292
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-3-phenyl-2-(propylcarbamoylamino)propanamide
SMILESCCCNC(=O)NC(Cc1ccccc1)C(=O)Nc1cc(C)on1
InChIInChI=1S/C17H22N4O3/c1-3-9-18-17(23)19-14(11-13-7-5-4-6-8-13)16(22)20-15-10-12(2)24-21-15/h4-8,10,14H,3,9,11H2,1-2H3,(H2,18,19,23)(H,20,21,22)
InChIKeyBTTJZUDWIZKOPL-UHFFFAOYSA-N
XLogP2.24
TPSA96.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]-3-phenylpropanamide
CID 95153740
3-bromo-N-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 74170896
(2S)-3-phenyl-2-(propylcarbamoylamino)propanoic acid
CID 2016664
(2S)-3-phenyl-2-(propylcarbamoylamino)propanoate
CID 2016663
2-[(4-chlorophenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)-3-phenylpropanamide
CID 74170909
(2S)-2-(dodecylcarbamoylamino)-N-[6-[[(2S)-2-(dodecylcarbamoylamino)-3-phenylpropanoyl]amino]hexyl]-3-phenylpropanamide
CID 102449042
(2S)-2-(dodecylcarbamoylamino)-3-phenyl-N-pyridin-4-ylpropanamide
CID 10456550
2-amino-N-(5-methyl-1,2-oxazol-3-yl)-4-phenylbutanamide
CID 114924652
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-(3-phenylpropanoylamino)propanamide
CID 112507057
(2R)-2-(hexylcarbamoylamino)-3-phenylpropanoic acid
CID 7003826
2-(butylcarbamoylamino)-3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 42757921
(2R)-2-benzylsulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 9459484

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-3-phenyl-2-(propylcarbamoylamino)propanamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-3-phenyl-2-(propylcarbamoylamino)propanamide (CID 110673292) is N-(5-methyl-1,2-oxazol-3-yl)-3-phenyl-2-(propylcarbamoylamino)propanamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-3-phenyl-2-(propylcarbamoylamino)propanamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-3-phenyl-2-(propylcarbamoylamino)propanamide is CCCNC(=O)NC(Cc1ccccc1)C(=O)Nc1cc(C)on1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-3-phenyl-2-(propylcarbamoylamino)propanamide?
The InChIKey is BTTJZUDWIZKOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-3-9-18-17(23)19-14(11-13-7-5-4-6-8-13)16(22)20-15-10-12(2)24-21-15/h4-8,10,14H,3,9,11H2,1-2H3,(H2,18,19,23)(H,20,21,22).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-3-phenyl-2-(propylcarbamoylamino)propanamide?
N-(5-methyl-1,2-oxazol-3-yl)-3-phenyl-2-(propylcarbamoylamino)propanamide has a molecular weight of 330.39 g/mol, XLogP of 2.24, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-3-phenyl-2-(propylcarbamoylamino)propanamide is sourced from PubChem (CID 110673292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).