N-[4-(benzamidomethyl)-1-cyclopropylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide

C22H26N4O3 — CID 130386430

IUPACN-[4-(benzamidomethyl)-1-cyclopropylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CN(C2CC2)CC1NC(=O)c1cc(C2CC2)on1)c1ccccc1
InChIInChI=1S/C22H26N4O3/c27-21(15-4-2-1-3-5-15)23-11-16-12-26(17-8-9-17)13-19(16)24-22(28)18-10-20(29-25-18)14-6-7-14/h1-5,10,14,16-17,19H,6-9,11-13H2,(H,23,27)(H,24,28)
InChIKeyMOXAOUFVQPPPKU-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.17
Rot. Bonds7

About N-[4-(benzamidomethyl)-1-cyclopropylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide

N-[4-(benzamidomethyl)-1-cyclopropylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide (PubChem CID 130386430) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-[4-(benzamidomethyl)-1-cyclopropylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(benzamidomethyl)-1-cyclopropylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
PubChem CID130386430
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC NameN-[4-(benzamidomethyl)-1-cyclopropylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CN(C2CC2)CC1NC(=O)c1cc(C2CC2)on1)c1ccccc1
InChIInChI=1S/C22H26N4O3/c27-21(15-4-2-1-3-5-15)23-11-16-12-26(17-8-9-17)13-19(16)24-22(28)18-10-20(29-25-18)14-6-7-14/h1-5,10,14,16-17,19H,6-9,11-13H2,(H,23,27)(H,24,28)
InChIKeyMOXAOUFVQPPPKU-UHFFFAOYSA-N
XLogP2.17
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyclopropyl-N-[(3R,4R)-1-cyclopropyl-4-hydroxypyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130395206
N-[(3S,4R)-1-cyclopentyl-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 130395230
N-(1-cyclopentyl-4-methylpyrrolidin-3-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 130386267
5-cyclopropyl-N-[1-(1,1-dioxothian-4-yl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 146458087
5-cyclopropyl-N-[(3S,4R)-1-(1,1-dioxothian-4-yl)-4-methylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130395229
5-cyclopropyl-N-[(3S,4R)-4-methyl-1-piperidin-4-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130386694
5-cyclopropyl-N-[(3S,4S)-4-methyl-1-piperidin-4-ylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 140808738
5-cyclopropyl-N-(4-ethyl-1-methylpyrrolidin-3-yl)-1,2-oxazole-3-carboxamide
CID 130386528
5-cyclopropyl-N-[(3R,4S)-1-methyl-4-phenylpyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 130386265
N-[(3S,4R)-1-benzyl-4-methylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 130395242
5-cyclopropyl-N-[(1S,2S)-2-phenylcyclopentyl]-1,2-oxazole-3-carboxamide
CID 124739374
5-cyclopropyl-N-[(1R,2R)-2-phenylcyclopentyl]-1,2-oxazole-3-carboxamide
CID 124739375

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzamidomethyl)-1-cyclopropylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[4-(benzamidomethyl)-1-cyclopropylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide (CID 130386430) is N-[4-(benzamidomethyl)-1-cyclopropylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[4-(benzamidomethyl)-1-cyclopropylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[4-(benzamidomethyl)-1-cyclopropylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide is O=C(NCC1CN(C2CC2)CC1NC(=O)c1cc(C2CC2)on1)c1ccccc1.
What is the InChIKey of N-[4-(benzamidomethyl)-1-cyclopropylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The InChIKey is MOXAOUFVQPPPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c27-21(15-4-2-1-3-5-15)23-11-16-12-26(17-8-9-17)13-19(16)24-22(28)18-10-20(29-25-18)14-6-7-14/h1-5,10,14,16-17,19H,6-9,11-13H2,(H,23,27)(H,24,28).
What are the key properties of N-[4-(benzamidomethyl)-1-cyclopropylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
N-[4-(benzamidomethyl)-1-cyclopropylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzamidomethyl)-1-cyclopropylpyrrolidin-3-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 130386430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).