N-cyclopropyl-2-[[4-(4-methylphenyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide

C19H24N4O2 — CID 46043342

IUPACN-cyclopropyl-2-[[4-(4-methylphenyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
SMILESCc1ccc(N2CCN(Cc3nc(C(=O)NC4CC4)co3)CC2)cc1
InChIInChI=1S/C19H24N4O2/c1-14-2-6-16(7-3-14)23-10-8-22(9-11-23)12-18-21-17(13-25-18)19(24)20-15-4-5-15/h2-3,6-7,13,15H,4-5,8-12H2,1H3,(H,20,24)
InChIKeyDOXBJUIQRUWHLP-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.20
Rot. Bonds5

About N-cyclopropyl-2-[[4-(4-methylphenyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide

N-cyclopropyl-2-[[4-(4-methylphenyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide (PubChem CID 46043342) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-cyclopropyl-2-[[4-(4-methylphenyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[4-(4-methylphenyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
PubChem CID46043342
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-cyclopropyl-2-[[4-(4-methylphenyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
SMILESCc1ccc(N2CCN(Cc3nc(C(=O)NC4CC4)co3)CC2)cc1
InChIInChI=1S/C19H24N4O2/c1-14-2-6-16(7-3-14)23-10-8-22(9-11-23)12-18-21-17(13-25-18)19(24)20-15-4-5-15/h2-3,6-7,13,15H,4-5,8-12H2,1H3,(H,20,24)
InChIKeyDOXBJUIQRUWHLP-UHFFFAOYSA-N
XLogP2.20
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-1,3-oxazole-4-carboxamide
CID 25265088
(2S)-6-amino-2-[[(8S,11R)-3,10-dioxo-8-propan-2-yl-6-oxa-2,9,18-triazatricyclo[11.2.2.14,7]octadeca-1(16),4,7(18),13(17),14-pentaen-11-yl]carbamoylamino]hexanoic acid
CID 162646605
N-hydroxy-2-[3-[4-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]propyl]-1,3-oxazole-4-carboxamide
CID 162665139
N-(2-(4-(oxazol-4-ylmethyl)piperazin-1-yl)-5-(trifluoro-methyl)phenyl)oxazole-4-carboxamide
CID 129032602
ALP-POS-d0876c20-3
CID 156906463
ALP-POS-d0876c20-7
CID 156906466
2-cyclopropyl-N-[2-[4-(4-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3-oxazole-4-carboxamide
CID 71234116
2-cyclopropyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]-1,3-oxazole-4-carboxamide
CID 71234119
N-(2-aminophenyl)-2-(3-(4-(((2-phenylcyclopropyl)amino)methyl)piperidin-1-yl)propyl)oxazole-4-carboxamide TFA Salt
CID 132116889
N-(2,4-dimethylphenyl)-2-methyl-1,3-oxazole-4-carboxamide
CID 30464288
N-(2,5-dimethylphenyl)-2-methyl-1,3-oxazole-4-carboxamide
CID 30464290
2-{[4-(2-fluorophenyl)-1-piperazinyl]methyl}-N-isopropyl-N-methyl-1,3-oxazole-4-carboxamide
CID 42100304

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[4-(4-methylphenyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-2-[[4-(4-methylphenyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide (CID 46043342) is N-cyclopropyl-2-[[4-(4-methylphenyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-[[4-(4-methylphenyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-2-[[4-(4-methylphenyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide is Cc1ccc(N2CCN(Cc3nc(C(=O)NC4CC4)co3)CC2)cc1.
What is the InChIKey of N-cyclopropyl-2-[[4-(4-methylphenyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is DOXBJUIQRUWHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-14-2-6-16(7-3-14)23-10-8-22(9-11-23)12-18-21-17(13-25-18)19(24)20-15-4-5-15/h2-3,6-7,13,15H,4-5,8-12H2,1H3,(H,20,24).
What are the key properties of N-cyclopropyl-2-[[4-(4-methylphenyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide?
N-cyclopropyl-2-[[4-(4-methylphenyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[4-(4-methylphenyl)piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 46043342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).