N-[(1S)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide

C23H24N4O2 — CID 25369331

IUPACN-[(1S)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
SMILESCc1c([C@H](C)NC(=O)c2cc(C(C)C)no2)cnn1-c1cccc2ccccc12
InChIInChI=1S/C23H24N4O2/c1-14(2)20-12-22(29-26-20)23(28)25-15(3)19-13-24-27(16(19)4)21-11-7-9-17-8-5-6-10-18(17)21/h5-15H,1-4H3,(H,25,28)/t15-/m0/s1
InChIKeyGCSHPDIMWPOOQH-HNNXBMFYSA-N
MW388.47 g/mol
LogP4.94
Rot. Bonds5

About N-[(1S)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide

N-[(1S)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide (PubChem CID 25369331) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[(1S)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
PubChem CID25369331
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC NameN-[(1S)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
SMILESCc1c([C@H](C)NC(=O)c2cc(C(C)C)no2)cnn1-c1cccc2ccccc12
InChIInChI=1S/C23H24N4O2/c1-14(2)20-12-22(29-26-20)23(28)25-15(3)19-13-24-27(16(19)4)21-11-7-9-17-8-5-6-10-18(17)21/h5-15H,1-4H3,(H,25,28)/t15-/m0/s1
InChIKeyGCSHPDIMWPOOQH-HNNXBMFYSA-N
XLogP4.94
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(1S)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide (CID 25369331) is N-[(1S)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(1S)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(1S)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide is Cc1c([C@H](C)NC(=O)c2cc(C(C)C)no2)cnn1-c1cccc2ccccc12.
What is the InChIKey of N-[(1S)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide?
The InChIKey is GCSHPDIMWPOOQH-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-14(2)20-12-22(29-26-20)23(28)25-15(3)19-13-24-27(16(19)4)21-11-7-9-17-8-5-6-10-18(17)21/h5-15H,1-4H3,(H,25,28)/t15-/m0/s1.
What are the key properties of N-[(1S)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide?
N-[(1S)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 25369331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).