1-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea

C19H24N6O2 — CID 97455492

IUPAC1-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea
SMILESCc1nnc(-c2ccc(NC(=O)N[C@H](Cn3ccnc3)C(C)(C)C)cc2)o1
InChIInChI=1S/C19H24N6O2/c1-13-23-24-17(27-13)14-5-7-15(8-6-14)21-18(26)22-16(19(2,3)4)11-25-10-9-20-12-25/h5-10,12,16H,11H2,1-4H3,(H2,21,22,26)/t16-/m1/s1
InChIKeyIYRLDRNUZRDCDU-MRXNPFEDSA-N
MW368.44 g/mol
LogP3.48
Rot. Bonds5

About 1-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea

1-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea (PubChem CID 97455492) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 1-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea
PubChem CID97455492
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Name1-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea
SMILESCc1nnc(-c2ccc(NC(=O)N[C@H](Cn3ccnc3)C(C)(C)C)cc2)o1
InChIInChI=1S/C19H24N6O2/c1-13-23-24-17(27-13)14-5-7-15(8-6-14)21-18(26)22-16(19(2,3)4)11-25-10-9-20-12-25/h5-10,12,16H,11H2,1-4H3,(H2,21,22,26)/t16-/m1/s1
InChIKeyIYRLDRNUZRDCDU-MRXNPFEDSA-N
XLogP3.48
TPSA97.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-acetylphenyl)-3-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)urea
CID 72941380
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1-(1,3-dihydro-2-benzofuran-5-yl)-3-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]urea
CID 125167700
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CID 97282072
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CID 94825715
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CID 71981492
1-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-3-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]urea
CID 94805776
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CID 118778636
1-(5-hydroxy-4,4-dimethylpentyl)-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 111618292
1-(4-hydroxy-2,2-dimethylpentyl)-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 71981490
1-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-3-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]urea
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tert-butyl N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)carbamate
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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea?
The IUPAC name of 1-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea (CID 97455492) is 1-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea.
What is the SMILES notation for 1-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea?
The canonical SMILES for 1-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea is Cc1nnc(-c2ccc(NC(=O)N[C@H](Cn3ccnc3)C(C)(C)C)cc2)o1.
What is the InChIKey of 1-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea?
The InChIKey is IYRLDRNUZRDCDU-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-13-23-24-17(27-13)14-5-7-15(8-6-14)21-18(26)22-16(19(2,3)4)11-25-10-9-20-12-25/h5-10,12,16H,11H2,1-4H3,(H2,21,22,26)/t16-/m1/s1.
What are the key properties of 1-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea?
1-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea has a molecular weight of 368.44 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea is sourced from PubChem (CID 97455492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).