N-[(3R,5S)-5-(3-cyclohexyl-3-oxopropyl)-1-cyclopropylpyrrolidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide

C23H35N3O3 — CID 147422371

IUPACN-[(3R,5S)-5-(3-cyclohexyl-3-oxopropyl)-1-cyclopropylpyrrolidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)N[C@@H]2C[C@H](CCC(=O)C3CCCCC3)N(C3CC3)C2)no1
InChIInChI=1S/C23H35N3O3/c1-15(2)22-13-20(25-29-22)23(28)24-17-12-19(26(14-17)18-8-9-18)10-11-21(27)16-6-4-3-5-7-16/h13,15-19H,3-12,14H2,1-2H3,(H,24,28)/t17-,19+/m1/s1
InChIKeyDSSTXBOSKAILRK-MJGOQNOKSA-N
MW401.55 g/mol
LogP4.06
Rot. Bonds8

About N-[(3R,5S)-5-(3-cyclohexyl-3-oxopropyl)-1-cyclopropylpyrrolidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide

N-[(3R,5S)-5-(3-cyclohexyl-3-oxopropyl)-1-cyclopropylpyrrolidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 147422371) has the molecular formula C23H35N3O3 and a molecular weight of 401.55 g/mol. Its IUPAC name is N-[(3R,5S)-5-(3-cyclohexyl-3-oxopropyl)-1-cyclopropylpyrrolidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3R,5S)-5-(3-cyclohexyl-3-oxopropyl)-1-cyclopropylpyrrolidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
PubChem CID147422371
Molecular FormulaC23H35N3O3
Molecular Weight401.55 g/mol
Exact Mass401.27
IUPAC NameN-[(3R,5S)-5-(3-cyclohexyl-3-oxopropyl)-1-cyclopropylpyrrolidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)N[C@@H]2C[C@H](CCC(=O)C3CCCCC3)N(C3CC3)C2)no1
InChIInChI=1S/C23H35N3O3/c1-15(2)22-13-20(25-29-22)23(28)24-17-12-19(26(14-17)18-8-9-18)10-11-21(27)16-6-4-3-5-7-16/h13,15-19H,3-12,14H2,1-2H3,(H,24,28)/t17-,19+/m1/s1
InChIKeyDSSTXBOSKAILRK-MJGOQNOKSA-N
XLogP4.06
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.55
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,5S)-5-(3-cyclohexyl-3-oxopropyl)-1-cyclopropylpyrrolidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(3R,5S)-5-(3-cyclohexyl-3-oxopropyl)-1-cyclopropylpyrrolidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide (CID 147422371) is N-[(3R,5S)-5-(3-cyclohexyl-3-oxopropyl)-1-cyclopropylpyrrolidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(3R,5S)-5-(3-cyclohexyl-3-oxopropyl)-1-cyclopropylpyrrolidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(3R,5S)-5-(3-cyclohexyl-3-oxopropyl)-1-cyclopropylpyrrolidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide is CC(C)c1cc(C(=O)N[C@@H]2C[C@H](CCC(=O)C3CCCCC3)N(C3CC3)C2)no1.
What is the InChIKey of N-[(3R,5S)-5-(3-cyclohexyl-3-oxopropyl)-1-cyclopropylpyrrolidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is DSSTXBOSKAILRK-MJGOQNOKSA-N. The full InChI is InChI=1S/C23H35N3O3/c1-15(2)22-13-20(25-29-22)23(28)24-17-12-19(26(14-17)18-8-9-18)10-11-21(27)16-6-4-3-5-7-16/h13,15-19H,3-12,14H2,1-2H3,(H,24,28)/t17-,19+/m1/s1.
What are the key properties of N-[(3R,5S)-5-(3-cyclohexyl-3-oxopropyl)-1-cyclopropylpyrrolidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
N-[(3R,5S)-5-(3-cyclohexyl-3-oxopropyl)-1-cyclopropylpyrrolidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 401.55 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,5S)-5-(3-cyclohexyl-3-oxopropyl)-1-cyclopropylpyrrolidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 147422371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).