5-methyl-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-1,3-oxazole-4-carboxamide

C15H24N4O2 — CID 118772730

IUPAC5-methyl-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)NCC1(CN2CCN(C)CC2)CC1
InChIInChI=1S/C15H24N4O2/c1-12-13(17-11-21-12)14(20)16-9-15(3-4-15)10-19-7-5-18(2)6-8-19/h11H,3-10H2,1-2H3,(H,16,20)
InChIKeySRBHFRYUBQECPO-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.74
Rot. Bonds5

About 5-methyl-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-1,3-oxazole-4-carboxamide

5-methyl-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-1,3-oxazole-4-carboxamide (PubChem CID 118772730) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 5-methyl-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-1,3-oxazole-4-carboxamide
PubChem CID118772730
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name5-methyl-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)NCC1(CN2CCN(C)CC2)CC1
InChIInChI=1S/C15H24N4O2/c1-12-13(17-11-21-12)14(20)16-9-15(3-4-15)10-19-7-5-18(2)6-8-19/h11H,3-10H2,1-2H3,(H,16,20)
InChIKeySRBHFRYUBQECPO-UHFFFAOYSA-N
XLogP0.74
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,5-dimethyloxazole-4-carbonyl)-N-ethyl-3-methyl-nipecotamide
CID 49789616
"2,5-dimethyl-N-(2-morpholinoethyl)-1,3-oxazole-4-carboxamide"
CID 53195158
2,5-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-oxazole-4-carboxamide
CID 53195189
5-Methyl-N-[3-(morpholin-4-YL)propyl]-2-(propan-2-YL)-1,3-oxazole-4-carboxamide
CID 53195190
2,2-dimethyl-N-({5-methyl-4-[(4-methylpiperidino)carbonyl]-1,3-oxazol-2-yl}methyl)propanamide
CID 53195520
2-{[(2,2-dimethylpropanoyl)amino]methyl}-N~4~,N~4~-diethyl-5-methyl-1,3-oxazole-4-carboxamide
CID 53195614
1-[(5-Methyl-1,3-oxazol-4-yl)carbonyl]-4-(1-pyrrolidinylcarbonyl)piperidine
CID 70758906
N-Cyclohexyl-N-[2-(dimethylamino)ethyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 74234028
5-methyl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1,3-oxazole-4-carboxamide
CID 122556326
5-methyl-N-[(3-methyloxetan-3-yl)methyl]-1,3-oxazole-4-carboxamide
CID 136525273
[(3R,5S)-3,5-dimethyl-4-(5-methyl-1,3-oxazole-4-carbonyl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
CID 136580979
N-(3-amino-2,2-difluoropropyl)-5-methyl-1,3-oxazole-4-carboxamide;hydrochloride
CID 120409769

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-1,3-oxazole-4-carboxamide (CID 118772730) is 5-methyl-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-1,3-oxazole-4-carboxamide is Cc1ocnc1C(=O)NCC1(CN2CCN(C)CC2)CC1.
What is the InChIKey of 5-methyl-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is SRBHFRYUBQECPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-12-13(17-11-21-12)14(20)16-9-15(3-4-15)10-19-7-5-18(2)6-8-19/h11H,3-10H2,1-2H3,(H,16,20).
What are the key properties of 5-methyl-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-1,3-oxazole-4-carboxamide?
5-methyl-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[[1-[(4-methylpiperazin-1-yl)methyl]cyclopropyl]methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 118772730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).