4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-[(2S)-2-pyrrolidin-1-ylpropyl]piperazine-1-carboxamide

C17H29N5O2 — CID 95134415

IUPAC4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-[(2S)-2-pyrrolidin-1-ylpropyl]piperazine-1-carboxamide
SMILESCc1cc(CN2CCN(C(=O)NC[C@H](C)N3CCCC3)CC2)no1
InChIInChI=1S/C17H29N5O2/c1-14(21-5-3-4-6-21)12-18-17(23)22-9-7-20(8-10-22)13-16-11-15(2)24-19-16/h11,14H,3-10,12-13H2,1-2H3,(H,18,23)/t14-/m0/s1
InChIKeyIEROCYQKYLQGPR-AWEZNQCLSA-N
MW335.45 g/mol
LogP1.29
Rot. Bonds5

About 4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-[(2S)-2-pyrrolidin-1-ylpropyl]piperazine-1-carboxamide

4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-[(2S)-2-pyrrolidin-1-ylpropyl]piperazine-1-carboxamide (PubChem CID 95134415) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-[(2S)-2-pyrrolidin-1-ylpropyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-[(2S)-2-pyrrolidin-1-ylpropyl]piperazine-1-carboxamide
PubChem CID95134415
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC Name4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-[(2S)-2-pyrrolidin-1-ylpropyl]piperazine-1-carboxamide
SMILESCc1cc(CN2CCN(C(=O)NC[C@H](C)N3CCCC3)CC2)no1
InChIInChI=1S/C17H29N5O2/c1-14(21-5-3-4-6-21)12-18-17(23)22-9-7-20(8-10-22)13-16-11-15(2)24-19-16/h11,14H,3-10,12-13H2,1-2H3,(H,18,23)/t14-/m0/s1
InChIKeyIEROCYQKYLQGPR-AWEZNQCLSA-N
XLogP1.29
TPSA64.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(2-thiophen-2-ylethyl)-1,4-diazepane-1-carboxamide
CID 3834876
4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-[2-(3-methylpiperidin-1-yl)ethyl]piperazine-1-carboxamide
CID 51084464
2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 71942307
N-[(3S)-1,1-dioxothiolan-3-yl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide
CID 94017304
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide
CID 87006494
(1-hydroxycyclopentyl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone
CID 110907005
4-(5-methyl-1,2-oxazol-3-yl)-N-(2-methylpropyl)piperazine-1-carboxamide
CID 113104147
4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 110422964
N-(2-fluorophenyl)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide
CID 86907151
(2S)-2-amino-3,3-dimethyl-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]butan-1-one
CID 119835196
2-[4-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]-1,4-diazepan-1-yl]acetic acid
CID 62822735
N-[1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-[(2S)-2-pyrrolidin-1-ylpropyl]piperazine-1-carboxamide?
The IUPAC name of 4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-[(2S)-2-pyrrolidin-1-ylpropyl]piperazine-1-carboxamide (CID 95134415) is 4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-[(2S)-2-pyrrolidin-1-ylpropyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-[(2S)-2-pyrrolidin-1-ylpropyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-[(2S)-2-pyrrolidin-1-ylpropyl]piperazine-1-carboxamide is Cc1cc(CN2CCN(C(=O)NC[C@H](C)N3CCCC3)CC2)no1.
What is the InChIKey of 4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-[(2S)-2-pyrrolidin-1-ylpropyl]piperazine-1-carboxamide?
The InChIKey is IEROCYQKYLQGPR-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H29N5O2/c1-14(21-5-3-4-6-21)12-18-17(23)22-9-7-20(8-10-22)13-16-11-15(2)24-19-16/h11,14H,3-10,12-13H2,1-2H3,(H,18,23)/t14-/m0/s1.
What are the key properties of 4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-[(2S)-2-pyrrolidin-1-ylpropyl]piperazine-1-carboxamide?
4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-[(2S)-2-pyrrolidin-1-ylpropyl]piperazine-1-carboxamide has a molecular weight of 335.45 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-[(2S)-2-pyrrolidin-1-ylpropyl]piperazine-1-carboxamide is sourced from PubChem (CID 95134415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).