N-cyclopropyl-N-[1-(5-ethyl-1,2-dihydropyrimidin-2-yl)piperidin-4-yl]-4-(1,3-oxazol-5-yl)benzamide

C24H29N5O2 — CID 122522135

IUPACN-cyclopropyl-N-[1-(5-ethyl-1,2-dihydropyrimidin-2-yl)piperidin-4-yl]-4-(1,3-oxazol-5-yl)benzamide
SMILESCCC1=CNC(N2CCC(N(C(=O)c3ccc(-c4cnco4)cc3)C3CC3)CC2)N=C1
InChIInChI=1S/C24H29N5O2/c1-2-17-13-26-24(27-14-17)28-11-9-21(10-12-28)29(20-7-8-20)23(30)19-5-3-18(4-6-19)22-15-25-16-31-22/h3-6,13-16,20-21,24,26H,2,7-12H2,1H3
InChIKeyOINSEUOEZIOPRK-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.66
Rot. Bonds6

About N-cyclopropyl-N-[1-(5-ethyl-1,2-dihydropyrimidin-2-yl)piperidin-4-yl]-4-(1,3-oxazol-5-yl)benzamide

N-cyclopropyl-N-[1-(5-ethyl-1,2-dihydropyrimidin-2-yl)piperidin-4-yl]-4-(1,3-oxazol-5-yl)benzamide (PubChem CID 122522135) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-cyclopropyl-N-[1-(5-ethyl-1,2-dihydropyrimidin-2-yl)piperidin-4-yl]-4-(1,3-oxazol-5-yl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[1-(5-ethyl-1,2-dihydropyrimidin-2-yl)piperidin-4-yl]-4-(1,3-oxazol-5-yl)benzamide
PubChem CID122522135
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC NameN-cyclopropyl-N-[1-(5-ethyl-1,2-dihydropyrimidin-2-yl)piperidin-4-yl]-4-(1,3-oxazol-5-yl)benzamide
SMILESCCC1=CNC(N2CCC(N(C(=O)c3ccc(-c4cnco4)cc3)C3CC3)CC2)N=C1
InChIInChI=1S/C24H29N5O2/c1-2-17-13-26-24(27-14-17)28-11-9-21(10-12-28)29(20-7-8-20)23(30)19-5-3-18(4-6-19)22-15-25-16-31-22/h3-6,13-16,20-21,24,26H,2,7-12H2,1H3
InChIKeyOINSEUOEZIOPRK-UHFFFAOYSA-N
XLogP3.66
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[1-(5-ethyl-1,2-dihydropyrimidin-2-yl)piperidin-4-yl]-4-(1,3-oxazol-5-yl)benzamide?
The IUPAC name of N-cyclopropyl-N-[1-(5-ethyl-1,2-dihydropyrimidin-2-yl)piperidin-4-yl]-4-(1,3-oxazol-5-yl)benzamide (CID 122522135) is N-cyclopropyl-N-[1-(5-ethyl-1,2-dihydropyrimidin-2-yl)piperidin-4-yl]-4-(1,3-oxazol-5-yl)benzamide.
What is the SMILES notation for N-cyclopropyl-N-[1-(5-ethyl-1,2-dihydropyrimidin-2-yl)piperidin-4-yl]-4-(1,3-oxazol-5-yl)benzamide?
The canonical SMILES for N-cyclopropyl-N-[1-(5-ethyl-1,2-dihydropyrimidin-2-yl)piperidin-4-yl]-4-(1,3-oxazol-5-yl)benzamide is CCC1=CNC(N2CCC(N(C(=O)c3ccc(-c4cnco4)cc3)C3CC3)CC2)N=C1.
What is the InChIKey of N-cyclopropyl-N-[1-(5-ethyl-1,2-dihydropyrimidin-2-yl)piperidin-4-yl]-4-(1,3-oxazol-5-yl)benzamide?
The InChIKey is OINSEUOEZIOPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-2-17-13-26-24(27-14-17)28-11-9-21(10-12-28)29(20-7-8-20)23(30)19-5-3-18(4-6-19)22-15-25-16-31-22/h3-6,13-16,20-21,24,26H,2,7-12H2,1H3.
What are the key properties of N-cyclopropyl-N-[1-(5-ethyl-1,2-dihydropyrimidin-2-yl)piperidin-4-yl]-4-(1,3-oxazol-5-yl)benzamide?
N-cyclopropyl-N-[1-(5-ethyl-1,2-dihydropyrimidin-2-yl)piperidin-4-yl]-4-(1,3-oxazol-5-yl)benzamide has a molecular weight of 419.53 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[1-(5-ethyl-1,2-dihydropyrimidin-2-yl)piperidin-4-yl]-4-(1,3-oxazol-5-yl)benzamide is sourced from PubChem (CID 122522135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).