(5R)-3-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-methyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione

C16H21N5O3 — CID 97253036

IUPAC(5R)-3-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-methyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione
SMILESCn1cc([C@@]2(C)NC(=O)N(Cc3ncc(C(C)(C)C)o3)C2=O)cn1
InChIInChI=1S/C16H21N5O3/c1-15(2,3)11-7-17-12(24-11)9-21-13(22)16(4,19-14(21)23)10-6-18-20(5)8-10/h6-8H,9H2,1-5H3,(H,19,23)/t16-/m1/s1
InChIKeyRKSFBCPRSIPAPF-MRXNPFEDSA-N
MW331.38 g/mol
LogP1.67
Rot. Bonds3

About (5R)-3-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-methyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione

(5R)-3-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-methyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione (PubChem CID 97253036) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is (5R)-3-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-methyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-methyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione
PubChem CID97253036
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name(5R)-3-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-methyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione
SMILESCn1cc([C@@]2(C)NC(=O)N(Cc3ncc(C(C)(C)C)o3)C2=O)cn1
InChIInChI=1S/C16H21N5O3/c1-15(2,3)11-7-17-12(24-11)9-21-13(22)16(4,19-14(21)23)10-6-18-20(5)8-10/h6-8H,9H2,1-5H3,(H,19,23)/t16-/m1/s1
InChIKeyRKSFBCPRSIPAPF-MRXNPFEDSA-N
XLogP1.67
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

(5S)-3-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-methyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione
CID 97253035
4-[[4-methyl-4-(1-methylpyrazol-4-yl)-2,5-dioxoimidazolidin-1-yl]methyl]benzoic acid
CID 132971291
3-(2-methoxyethyl)-5-methyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione
CID 154737485
3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione
CID 71913747
(5R)-3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-methyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione
CID 97090177
5-methyl-5-(1-methylpyrazol-4-yl)-3-(3-phenylprop-2-enyl)imidazolidine-2,4-dione
CID 71914522
(3R,4S)-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120933209
(5R)-3-(2-cyclohexylsulfanylethyl)-5-methyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione
CID 124735019
(5S)-3-(2-cyclohexylsulfanylethyl)-5-methyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione
CID 124735018
3-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 51250110
(5R)-5-methyl-5-(1-methylpyrazol-4-yl)-3-(3-naphthalen-2-yloxypropyl)imidazolidine-2,4-dione
CID 99707844
(5S)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione
CID 96521180

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-methyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-methyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione (CID 97253036) is (5R)-3-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-methyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-methyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-methyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione is Cn1cc([C@@]2(C)NC(=O)N(Cc3ncc(C(C)(C)C)o3)C2=O)cn1.
What is the InChIKey of (5R)-3-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-methyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione?
The InChIKey is RKSFBCPRSIPAPF-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-15(2,3)11-7-17-12(24-11)9-21-13(22)16(4,19-14(21)23)10-6-18-20(5)8-10/h6-8H,9H2,1-5H3,(H,19,23)/t16-/m1/s1.
What are the key properties of (5R)-3-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-methyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione?
(5R)-3-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-methyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione has a molecular weight of 331.38 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-5-methyl-5-(1-methylpyrazol-4-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 97253036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).