4-(cyclopropylmethyl)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-propan-2-yl-1,4-diazepan-5-one

C19H31N3O2 — CID 56864811

IUPAC4-(cyclopropylmethyl)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-propan-2-yl-1,4-diazepan-5-one
SMILESCc1noc(C)c1CCN1CCC(=O)N(CC2CC2)C(C(C)C)C1
InChIInChI=1S/C19H31N3O2/c1-13(2)18-12-21(9-7-17-14(3)20-24-15(17)4)10-8-19(23)22(18)11-16-5-6-16/h13,16,18H,5-12H2,1-4H3
InChIKeyHSDHDHQFEDJLRF-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.80
Rot. Bonds6

About 4-(cyclopropylmethyl)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-propan-2-yl-1,4-diazepan-5-one

4-(cyclopropylmethyl)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-propan-2-yl-1,4-diazepan-5-one (PubChem CID 56864811) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-propan-2-yl-1,4-diazepan-5-one.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-propan-2-yl-1,4-diazepan-5-one
PubChem CID56864811
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name4-(cyclopropylmethyl)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-propan-2-yl-1,4-diazepan-5-one
SMILESCc1noc(C)c1CCN1CCC(=O)N(CC2CC2)C(C(C)C)C1
InChIInChI=1S/C19H31N3O2/c1-13(2)18-12-21(9-7-17-14(3)20-24-15(17)4)10-8-19(23)22(18)11-16-5-6-16/h13,16,18H,5-12H2,1-4H3
InChIKeyHSDHDHQFEDJLRF-UHFFFAOYSA-N
XLogP2.80
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-propan-2-yl-1,4-diazepan-5-one?
The IUPAC name of 4-(cyclopropylmethyl)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-propan-2-yl-1,4-diazepan-5-one (CID 56864811) is 4-(cyclopropylmethyl)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-propan-2-yl-1,4-diazepan-5-one.
What is the SMILES notation for 4-(cyclopropylmethyl)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-propan-2-yl-1,4-diazepan-5-one?
The canonical SMILES for 4-(cyclopropylmethyl)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-propan-2-yl-1,4-diazepan-5-one is Cc1noc(C)c1CCN1CCC(=O)N(CC2CC2)C(C(C)C)C1.
What is the InChIKey of 4-(cyclopropylmethyl)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-propan-2-yl-1,4-diazepan-5-one?
The InChIKey is HSDHDHQFEDJLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-13(2)18-12-21(9-7-17-14(3)20-24-15(17)4)10-8-19(23)22(18)11-16-5-6-16/h13,16,18H,5-12H2,1-4H3.
What are the key properties of 4-(cyclopropylmethyl)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-propan-2-yl-1,4-diazepan-5-one?
4-(cyclopropylmethyl)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-propan-2-yl-1,4-diazepan-5-one has a molecular weight of 333.48 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-propan-2-yl-1,4-diazepan-5-one is sourced from PubChem (CID 56864811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).